4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide

C18H17N3O — CID 174858317

IUPAC4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
SMILESN#Cc1cccc(CNC2CC2c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O/c19-10-12-2-1-3-13(8-12)11-21-17-9-16(17)14-4-6-15(7-5-14)18(20)22/h1-8,16-17,21H,9,11H2,(H2,20,22)
InChIKeyZOAACCFHAIKYNH-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds5

About 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide

4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide (PubChem CID 174858317) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide.

Molecular Properties

Compound Name4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
PubChem CID174858317
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide
SMILESN#Cc1cccc(CNC2CC2c2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C18H17N3O/c19-10-12-2-1-3-13(8-12)11-21-17-9-16(17)14-4-6-15(7-5-14)18(20)22/h1-8,16-17,21H,9,11H2,(H2,20,22)
InChIKeyZOAACCFHAIKYNH-UHFFFAOYSA-N
XLogP2.30
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[2-[(3-cyanophenyl)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

N-[(3-cyanophenyl)methyl]-4-[(1S,2R)-2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304064
N-[(3-cyanophenyl)methyl]-4-[2-(cyclopropylmethylamino)cyclopropyl]benzamide
CID 118304061
4-[2-[(3-cyanophenyl)methyl-(cyclopropylmethyl)amino]cyclopropyl]benzamide
CID 140688651
N-benzyl-4-[2-[(2-chloro-5-cyanophenyl)methylamino]cyclopropyl]benzamide
CID 118305141
4-[2-[(2-chlorophenyl)methylamino]cyclopropyl]benzamide
CID 174857995
3-amino-4-[(3-cyanophenyl)methylamino]benzamide
CID 62312022
3-[[[(1R,2S)-2-hydroxycyclohexyl]amino]methyl]benzonitrile
CID 93355798
3-[[(2-hydroxycyclohexyl)amino]methyl]benzonitrile
CID 55024109
3-[(3-cyanoanilino)methyl]benzamide
CID 28580996
tert-butyl N-[2-[(3-cyanophenyl)methylamino]cyclopropyl]carbamate
CID 107238080
3-[[(2-propylcyclopropyl)amino]methyl]benzonitrile;hydrochloride
CID 115664716
3-[(3-cyanophenyl)methylamino]-4-methoxybenzamide
CID 43735340

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide?
The IUPAC name of 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide (CID 174858317) is 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide.
What is the SMILES notation for 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide?
The canonical SMILES for 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide is N#Cc1cccc(CNC2CC2c2ccc(C(N)=O)cc2)c1.
What is the InChIKey of 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide?
The InChIKey is ZOAACCFHAIKYNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O/c19-10-12-2-1-3-13(8-12)11-21-17-9-16(17)14-4-6-15(7-5-14)18(20)22/h1-8,16-17,21H,9,11H2,(H2,20,22).
What are the key properties of 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide?
4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide has a molecular weight of 291.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3-cyanophenyl)methylamino]cyclopropyl]benzamide is sourced from PubChem (CID 174858317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).