2,4-Dichloro-N-(4-(phenylcarbamoyl)phenyl)benzamide

Introduction

CAS No. :	313493-80-0	MDL No. :	MFCD00369571
Formula :	C20H14Cl2N2O2	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	PFHDXBXPRBQVAV-UHFFFAOYSA-N
M.W :	385.24	Pubchem ID :	1375606
Synonyms :		Chemical Name :	2,4-Dichloro-N-(4-(phenylcarbamoyl)phenyl)benzamide

Physicochemical Properties

Num. heavy atoms :	26
Num. arom. heavy atoms :	18
Fraction Csp3 :	0.0
Num. rotatable bonds :	6
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	104.89
TPSA :	58.2 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	Yes
CYP3A4 inhibitor :	Yes
Log Kp (skin permeation) :	-4.87 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.09
Log Po/w (XLOGP3) :	5.32
Log Po/w (WLOGP) :	5.12
Log Po/w (MLOGP) :	4.61
Log Po/w (SILICOS-IT) :	4.59
Consensus Log Po/w :	4.55

Druglikeness

Lipinski :	1.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-5.7
Solubility :	0.000775 mg/ml ; 0.00000201 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.29
Solubility :	0.000196 mg/ml ; 0.000000508 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-8.6
Solubility :	0.000000972 mg/ml ; 0.0000000025 mol/l
Class :	Poorly soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	2.0
Synthetic accessibility :	2.05

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

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