4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide

C17H17ClN2O — CID 174857995

IUPAC4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide
SMILESNC(=O)c1ccc(C2CC2NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-15-4-2-1-3-13(15)10-20-16-9-14(16)11-5-7-12(8-6-11)17(19)21/h1-8,14,16,20H,9-10H2,(H2,19,21)
InChIKeyJIUJXASHODPCRT-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.08
Rot. Bonds5

About 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide

4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide (PubChem CID 174857995) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide
PubChem CID174857995
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide
SMILESNC(=O)c1ccc(C2CC2NCc2ccccc2Cl)cc1
InChIInChI=1S/C17H17ClN2O/c18-15-4-2-1-3-13(15)10-20-16-9-14(16)11-5-7-12(8-6-11)17(19)21/h1-8,14,16,20H,9-10H2,(H2,19,21)
InChIKeyJIUJXASHODPCRT-UHFFFAOYSA-N
XLogP3.08
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]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

4-[2-[(2-methylphenyl)methylamino]cyclopropyl]benzamide
CID 174857950
N-[(2-chlorophenyl)methyl]-2-methylcyclopropan-1-amine
CID 62397679
N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 118305141
3-chloro-4-[[(2-hydroxycyclohexyl)amino]methyl]benzamide
CID 102664438
1-[(2-chlorophenyl)methyl]-N-[(1R,2S)-2-phenylcyclopropyl]triazole-4-carboxamide
CID 26391382
N-benzyl-4-[2-[(2-methylphenyl)methylamino]cyclopropyl]benzamide;2,2,2-trifluoroacetic acid
CID 118305002
2-[(2-chlorophenyl)methyl]-4-fluoro-4-[[(2-phenylcyclopropyl)amino]methyl]piperidine-1-carboxylic acid
CID 137422422
2-amino-3-chloro-N-(2-phenylcyclopropyl)benzamide
CID 115540566
5-[[(1R,2S)-2-phenylcyclopropyl]amino]pentanamide;hydrochloride
CID 67115781
2,6-dichloro-4-[[(2-phenylcyclopropyl)amino]methyl]aniline
CID 82840790
4-(2-chlorophenyl)-N-[4-[2-(cyclopropylmethylamino)cyclopropyl]phenyl]benzamide;hydrochloride
CID 90213944
3-chloro-4-[[(2-methylcycloheptyl)amino]methyl]benzamide
CID 102664681

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide?
The IUPAC name of 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide (CID 174857995) is 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide.
What is the SMILES notation for 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide?
The canonical SMILES for 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide is NC(=O)c1ccc(C2CC2NCc2ccccc2Cl)cc1.
What is the InChIKey of 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide?
The InChIKey is JIUJXASHODPCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c18-15-4-2-1-3-13(15)10-20-16-9-14(16)11-5-7-12(8-6-11)17(19)21/h1-8,14,16,20H,9-10H2,(H2,19,21).
What are the key properties of 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide?
4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide has a molecular weight of 300.79 g/mol, XLogP of 3.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide is sourced from PubChem (CID 174857995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).