N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide

C14H16N2O — CID 47161592

IUPACN-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
SMILESN#Cc1cccc(CNC(=O)C2CCCC2)c1
InChIInChI=1S/C14H16N2O/c15-9-11-4-3-5-12(8-11)10-16-14(17)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H,16,17)
InChIKeyRDGWJGSRBYCWFO-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.36
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide

N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide (PubChem CID 47161592) has the molecular formula C14H16N2O and a molecular weight of 228.30 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
PubChem CID47161592
Molecular FormulaC14H16N2O
Molecular Weight228.30 g/mol
Exact Mass228.13
IUPAC NameN-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
SMILESN#Cc1cccc(CNC(=O)C2CCCC2)c1
InChIInChI=1S/C14H16N2O/c15-9-11-4-3-5-12(8-11)10-16-14(17)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H,16,17)
InChIKeyRDGWJGSRBYCWFO-UHFFFAOYSA-N
XLogP2.36
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-cyanophenyl)methyl]-3-cyclohexylurea
CID 47216904
N-[[(3R)-1-[(3-cyanophenyl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211193
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[[(3S)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230202
N-[[(3R)-1-[(3-cyanophenyl)methyl]piperidin-3-yl]methyl]cyclohexanecarboxamide
CID 95230201
N-benzylcyclopentanecarboxamide
CID 835634
3-[(cyclohexanecarbonylamino)methyl]benzoic acid
CID 60895668
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
N-benzylcyclobutanecarboxamide
CID 730128
N-[(3-cyanophenyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 64891483
N-[[3-(cyclopentanecarbonylamino)phenyl]methyl]piperidine-4-carboxamide;hydrochloride
CID 119299314
N-[(3-cyanophenyl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 76887453

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide (CID 47161592) is N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide is N#Cc1cccc(CNC(=O)C2CCCC2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide?
The InChIKey is RDGWJGSRBYCWFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c15-9-11-4-3-5-12(8-11)10-16-14(17)13-6-1-2-7-13/h3-5,8,13H,1-2,6-7,10H2,(H,16,17).
What are the key properties of N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide?
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide has a molecular weight of 228.30 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 47161592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).