3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide

C17H23FN2O — CID 139384305

IUPAC3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
SMILESCC1(F)CCC(NC(=O)c2cccc(C3CC3N)c2)CC1
InChIInChI=1S/C17H23FN2O/c1-17(18)7-5-13(6-8-17)20-16(21)12-4-2-3-11(9-12)14-10-15(14)19/h2-4,9,13-15H,5-8,10,19H2,1H3,(H,20,21)
InChIKeyXXIJPGASWNGEMR-UHFFFAOYSA-N
MW290.38 g/mol
LogP2.90
Rot. Bonds3

About 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide

3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide (PubChem CID 139384305) has the molecular formula C17H23FN2O and a molecular weight of 290.38 g/mol. Its IUPAC name is 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide.

Molecular Properties

Compound Name3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
PubChem CID139384305
Molecular FormulaC17H23FN2O
Molecular Weight290.38 g/mol
Exact Mass290.18
IUPAC Name3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide
SMILESCC1(F)CCC(NC(=O)c2cccc(C3CC3N)c2)CC1
InChIInChI=1S/C17H23FN2O/c1-17(18)7-5-13(6-8-17)20-16(21)12-4-2-3-11(9-12)14-10-15(14)19/h2-4,9,13-15H,5-8,10,19H2,1H3,(H,20,21)
InChIKeyXXIJPGASWNGEMR-UHFFFAOYSA-N
XLogP2.90
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.38
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S,2R)-2-aminocyclopropyl]-N-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]benzamide
CID 118304412
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-[(4,4-difluorocyclohexyl)amino]cyclopropyl]benzamide;hydrochloride
CID 118304120
N-(3,3-difluorocyclobutyl)-3-[2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
CID 118304719
N-(3,3-difluorocyclobutyl)-3-[(1S,2R)-2-(2,2-dimethylpropylamino)cyclopropyl]benzamide
CID 118304721
N-(4-aminocyclohexyl)-3-fluorobenzamide
CID 43653117
N-[3-[(1S,2S)-2-aminocyclopropyl]phenyl]benzamide
CID 118734108
N-cyclopentyl-3-[2-(oxan-4-ylamino)cyclopropyl]benzamide
CID 118304127
3-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]sulfonyl-N-cyclopropylbenzamide
CID 120767034
4-[3-(cyclohexylcarbamoyl)phenyl]cyclohexane-1-carboxylic acid
CID 177244716
3-tert-butyl-N-cyclopropylbenzamide
CID 59732225
3-[2-(cyclopropylmethylamino)cyclopropyl]-N-(3,3-difluorocyclobutyl)benzamide;2,2,2-trifluoroacetic acid
CID 118304417
3-[(1S,2R)-2-aminocyclopropyl]-N-(4,4-difluorocyclohexyl)-5-methylthiophene-2-carboxamide
CID 142797628

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide?
The IUPAC name of 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide (CID 139384305) is 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide.
What is the SMILES notation for 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide?
The canonical SMILES for 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide is CC1(F)CCC(NC(=O)c2cccc(C3CC3N)c2)CC1.
What is the InChIKey of 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide?
The InChIKey is XXIJPGASWNGEMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O/c1-17(18)7-5-13(6-8-17)20-16(21)12-4-2-3-11(9-12)14-10-15(14)19/h2-4,9,13-15H,5-8,10,19H2,1H3,(H,20,21).
What are the key properties of 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide?
3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide has a molecular weight of 290.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminocyclopropyl)-N-(4-fluoro-4-methylcyclohexyl)benzamide is sourced from PubChem (CID 139384305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).