3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide

C15H17ClN2O — CID 78830459

IUPAC3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
SMILESN#CC1(NC(=O)CCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C15H17ClN2O/c16-13-6-3-12(4-7-13)5-8-14(19)18-15(11-17)9-1-2-10-15/h3-4,6-7H,1-2,5,8-10H2,(H,18,19)
InChIKeyALYAYAHBHUYLNT-UHFFFAOYSA-N
MW276.77 g/mol
LogP3.23
Rot. Bonds4

About 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide

3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide (PubChem CID 78830459) has the molecular formula C15H17ClN2O and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
PubChem CID78830459
Molecular FormulaC15H17ClN2O
Molecular Weight276.77 g/mol
Exact Mass276.10
IUPAC Name3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide
SMILESN#CC1(NC(=O)CCc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C15H17ClN2O/c16-13-6-3-12(4-7-13)5-8-14(19)18-15(11-17)9-1-2-10-15/h3-4,6-7H,1-2,5,8-10H2,(H,18,19)
InChIKeyALYAYAHBHUYLNT-UHFFFAOYSA-N
XLogP3.23
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
CID 60659352
N-(1-cyanocyclopentyl)-3-(4-cyanophenyl)propanamide
CID 78830549
N-(1-cyanocyclohexyl)-3-[4-(difluoromethoxy)phenyl]propanamide
CID 86922934
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] 3-phenylpropanoate
CID 7659084
(2S)-2-[(4-chlorophenyl)methylsulfanyl]-N-(1-cyanocyclohexyl)propanamide
CID 8544965
2-[[(1R)-1-(4-chlorophenyl)ethyl]-methylamino]-N-(1-cyanocyclopentyl)acetamide
CID 95934995
N-(1-cyanocyclopentyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 60704808
N-(1-cyano-4-ethylcyclohexyl)-3-phenylpropanamide
CID 61119370
[2-[(1-cyanocyclopentyl)amino]-2-oxoethyl] (2R)-2-(4-chlorophenyl)sulfanylpropanoate
CID 7821280
N-(1-cyanocyclohexyl)-2-(3,5-dichloroanilino)acetamide
CID 51183090
N-(1-cyanocyclopentyl)-2-(3,4-dimethylphenyl)acetamide
CID 55023977
4-[(1-cyanocyclohexyl)amino]-4-oxobutanoic acid
CID 82287344

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide (CID 78830459) is 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide is N#CC1(NC(=O)CCc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide?
The InChIKey is ALYAYAHBHUYLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O/c16-13-6-3-12(4-7-13)5-8-14(19)18-15(11-17)9-1-2-10-15/h3-4,6-7H,1-2,5,8-10H2,(H,18,19).
What are the key properties of 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide?
3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide has a molecular weight of 276.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(1-cyanocyclopentyl)propanamide is sourced from PubChem (CID 78830459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).