N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide

C14H15ClN2O — CID 114303029

IUPACN-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NCC2CCCC2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-13-3-1-2-12(13)9-17-14(18)11-6-4-10(8-16)5-7-11/h4-7,12-13H,1-3,9H2,(H,17,18)
InChIKeyCPSAUJNTGCJYDZ-UHFFFAOYSA-N
MW262.74 g/mol
LogP2.70
Rot. Bonds3

About N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide

N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide (PubChem CID 114303029) has the molecular formula C14H15ClN2O and a molecular weight of 262.74 g/mol. Its IUPAC name is N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide.

Molecular Properties

Compound NameN-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
PubChem CID114303029
Molecular FormulaC14H15ClN2O
Molecular Weight262.74 g/mol
Exact Mass262.09
IUPAC NameN-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide
SMILESN#Cc1ccc(C(=O)NCC2CCCC2Cl)cc1
InChIInChI=1S/C14H15ClN2O/c15-13-3-1-2-12(13)9-17-14(18)11-6-4-10(8-16)5-7-11/h4-7,12-13H,1-3,9H2,(H,17,18)
InChIKeyCPSAUJNTGCJYDZ-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[[2-(bromomethyl)cyclopentyl]methyl]-4-cyanobenzamide
CID 114317040
N-[[2-(chloromethyl)cyclohexyl]methyl]-4-cyanobenzamide
CID 114306941
4-tert-butyl-N-[(2-chlorocyclopentyl)methyl]benzamide
CID 114303084
N-[(2-chlorocyclopentyl)methyl]-3,4-dihydroxybenzamide
CID 107729007
N-[(2-chlorocyclopentyl)methyl]pyridazine-4-carboxamide
CID 104672632
N-[(2-chlorocyclopentyl)methyl]thiophene-3-carboxamide
CID 114303164
6-bromo-N-[(2-chlorocyclopentyl)methyl]naphthalene-2-carboxamide
CID 115354542
N-[(2-chlorocyclopentyl)methyl]-3-hydroxy-4-methylbenzamide
CID 113272929
4-cyano-N-(thian-2-ylmethyl)benzamide
CID 80599895
N-[(2-chlorocyclohexyl)methyl]pyrimidine-5-carboxamide
CID 102922761
3-chloro-N-[(2-chlorocyclohexyl)methyl]benzamide
CID 114301647
N-[(2-chlorocyclopentyl)methyl]-2-methylbenzamide
CID 114303000

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide?
The IUPAC name of N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide (CID 114303029) is N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide.
What is the SMILES notation for N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide?
The canonical SMILES for N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide is N#Cc1ccc(C(=O)NCC2CCCC2Cl)cc1.
What is the InChIKey of N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide?
The InChIKey is CPSAUJNTGCJYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O/c15-13-3-1-2-12(13)9-17-14(18)11-6-4-10(8-16)5-7-11/h4-7,12-13H,1-3,9H2,(H,17,18).
What are the key properties of N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide?
N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide has a molecular weight of 262.74 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorocyclopentyl)methyl]-4-cyanobenzamide is sourced from PubChem (CID 114303029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).