2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide

C14H15ClN2O — CID 60659352

IUPAC2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H15ClN2O/c15-12-5-3-11(4-6-12)9-13(18)17-14(10-16)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,17,18)
InChIKeyFOSNXNDWEGAARZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.84
Rot. Bonds3

About 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide

2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide (PubChem CID 60659352) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
PubChem CID60659352
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC Name2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide
SMILESN#CC1(NC(=O)Cc2ccc(Cl)cc2)CCCC1
InChIInChI=1S/C14H15ClN2O/c15-12-5-3-11(4-6-12)9-13(18)17-14(10-16)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,17,18)
InChIKeyFOSNXNDWEGAARZ-UHFFFAOYSA-N
XLogP2.84
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide (CID 60659352) is 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide is N#CC1(NC(=O)Cc2ccc(Cl)cc2)CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide?
The InChIKey is FOSNXNDWEGAARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-12-5-3-11(4-6-12)9-13(18)17-14(10-16)7-1-2-8-14/h3-6H,1-2,7-9H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide?
2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide has a molecular weight of 262.74 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(1-cyanocyclopentyl)acetamide is sourced from PubChem (CID 60659352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).