N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide

C13H15F2NO — CID 110781018

IUPACN-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C13H15F2NO/c14-11-6-5-9(7-12(11)15)8-16-13(17)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyVUEQRADDBSPKLB-UHFFFAOYSA-N
MW239.26 g/mol
LogP2.77
Rot. Bonds3

About N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide

N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide (PubChem CID 110781018) has the molecular formula C13H15F2NO and a molecular weight of 239.26 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
PubChem CID110781018
Molecular FormulaC13H15F2NO
Molecular Weight239.26 g/mol
Exact Mass239.11
IUPAC NameN-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide
SMILESO=C(NCc1ccc(F)c(F)c1)C1CCCC1
InChIInChI=1S/C13H15F2NO/c14-11-6-5-9(7-12(11)15)8-16-13(17)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17)
InChIKeyVUEQRADDBSPKLB-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,4-difluorophenyl)methyl]piperidine-4-carboxamide
CID 54967962
3-amino-N-[(3,4-difluorophenyl)methyl]cyclopentane-1-carboxamide
CID 66009834
N-[(3,4-difluorophenyl)methyl]-1-methylazepane-2-carboxamide
CID 72877122
9-amino-N-[(3,4-difluorophenyl)methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120985269
N,N'-bis[(3,4-difluorophenyl)methyl]oxamide
CID 126500404
(2R,5S)-5-[(3,4-difluorophenyl)methylcarbamoyl]oxolane-2-carboxylic acid
CID 102945093
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-benzylcyclopentanecarboxamide
CID 835634
N-[(3-methylphenyl)methyl]cyclopentanecarboxamide
CID 39985159
N-[[4-(2,6-dimethylmorpholin-4-yl)-3-fluorophenyl]methyl]cyclobutanecarboxamide
CID 47062619
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
N-[2-(3,4-difluorophenyl)ethyl]piperidine-4-carboxamide
CID 115160034

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide (CID 110781018) is N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide is O=C(NCc1ccc(F)c(F)c1)C1CCCC1.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide?
The InChIKey is VUEQRADDBSPKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2NO/c14-11-6-5-9(7-12(11)15)8-16-13(17)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H,16,17).
What are the key properties of N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide?
N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide has a molecular weight of 239.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]cyclopentanecarboxamide is sourced from PubChem (CID 110781018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).