2-Amino-6-fluorobenzamide

Introduction

CAS No. :	115643-59-9	MDL No. :	MFCD00816881
Formula :	C7H7FN2O	Boiling Point :	No data available
Linear Structure Formula :	-	InChI Key :	REPZELLBLWMUAB-UHFFFAOYSA-N
M.W :	154.14	Pubchem ID :	2778939
Synonyms :

Physicochemical Properties

Num. heavy atoms :	11
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	2.0
Molar Refractivity :	38.9
TPSA :	69.11 Ų

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-7.23 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.76
Log Po/w (XLOGP3) :	0.02
Log Po/w (WLOGP) :	0.93
Log Po/w (MLOGP) :	1.02
Log Po/w (SILICOS-IT) :	0.68
Consensus Log Po/w :	0.68

Druglikeness

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

Water Solubility

Log S (ESOL) :	-1.15
Solubility :	11.0 mg/ml ; 0.0715 mol/l
Class :	Very soluble
Log S (Ali) :	-1.02
Solubility :	14.6 mg/ml ; 0.0948 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-1.89
Solubility :	1.98 mg/ml ; 0.0128 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.07

Signal Word:	Warning	Class:
Precautionary Statements:	P261-P301+P312-P302+P352-P304+P340-P305+P351+P338	UN#:
Hazard Statements:	H302-H315-H319-H335	Packing Group:
GHS Pictogram:

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