1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide

C14H16ClN3O — CID 115434808

IUPAC1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H16ClN3O/c15-11-4-3-10(8-16)12(7-11)18-13(19)14(9-17)5-1-2-6-14/h3-4,7H,1-2,5-6,9,17H2,(H,18,19)
InChIKeyWJKBVEFVIZPTOW-UHFFFAOYSA-N
MW277.75 g/mol
LogP2.67
Rot. Bonds3

About 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide

1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide (PubChem CID 115434808) has the molecular formula C14H16ClN3O and a molecular weight of 277.75 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
PubChem CID115434808
Molecular FormulaC14H16ClN3O
Molecular Weight277.75 g/mol
Exact Mass277.10
IUPAC Name1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide
SMILESN#Cc1ccc(Cl)cc1NC(=O)C1(CN)CCCC1
InChIInChI=1S/C14H16ClN3O/c15-11-4-3-10(8-16)12(7-11)18-13(19)14(9-17)5-1-2-6-14/h3-4,7H,1-2,5-6,9,17H2,(H,18,19)
InChIKeyWJKBVEFVIZPTOW-UHFFFAOYSA-N
XLogP2.67
TPSA78.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.75
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-(5-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 107798245
1-(aminomethyl)-N-(2,5-dichlorophenyl)cycloheptane-1-carboxamide
CID 115443708
2-(1-aminocyclohexyl)-N-(5-chloro-2-cyanophenyl)acetamide
CID 64684415
1-(aminomethyl)-N-(4-bromo-2-cyanophenyl)cyclobutane-1-carboxamide
CID 82708785
1-(aminomethyl)-N-(4-chloro-2-nitrophenyl)cyclopentane-1-carboxamide
CID 115434825
1-(aminomethyl)-N-(2-chloro-4-cyanophenyl)cyclobutane-1-carboxamide
CID 107808093
1-[[(5-chloro-2-cyanophenyl)carbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451717
1-(aminomethyl)-N-(2-cyano-4-fluorophenyl)cyclopropane-1-carboxamide
CID 82016106
1-(aminomethyl)-N-(4-chloro-2-fluorophenyl)cyclopropane-1-carboxamide
CID 115452488
4-amino-N-(5-chloro-2-cyanophenyl)-2,2-dimethylbutanamide
CID 114285571
1-(5-chloro-2-cyanoanilino)cycloheptane-1-carboxylic acid
CID 63082412
1-(aminomethyl)-N-(4-cyano-2-methoxyphenyl)cyclopentane-1-carboxamide
CID 104848800

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide?
The IUPAC name of 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide (CID 115434808) is 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide?
The canonical SMILES for 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide is N#Cc1ccc(Cl)cc1NC(=O)C1(CN)CCCC1.
What is the InChIKey of 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide?
The InChIKey is WJKBVEFVIZPTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O/c15-11-4-3-10(8-16)12(7-11)18-13(19)14(9-17)5-1-2-6-14/h3-4,7H,1-2,5-6,9,17H2,(H,18,19).
What are the key properties of 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide?
1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide has a molecular weight of 277.75 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(5-chloro-2-cyanophenyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 115434808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).