1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C14H12F4N2O — CID 63037709

IUPAC1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1
InChIInChI=1S/C14H12F4N2O/c15-10-4-3-9(14(16,17)18)7-11(10)20-12(21)13(8-19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,20,21)
InChIKeyWTVDJBPWZJENJB-UHFFFAOYSA-N
MW300.25 g/mol
LogP3.87
Rot. Bonds2

About 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 63037709) has the molecular formula C14H12F4N2O and a molecular weight of 300.25 g/mol. Its IUPAC name is 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID63037709
Molecular FormulaC14H12F4N2O
Molecular Weight300.25 g/mol
Exact Mass300.09
IUPAC Name1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESN#CC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1
InChIInChI=1S/C14H12F4N2O/c15-10-4-3-9(14(16,17)18)7-11(10)20-12(21)13(8-19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,20,21)
InChIKeyWTVDJBPWZJENJB-UHFFFAOYSA-N
XLogP3.87
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-1-cyanocyclopropane-1-carboxamide
CID 80599070
N-(5-bromo-2-fluorophenyl)-1-cyanocyclopropane-1-carboxamide
CID 80598354
N-(2-chloro-5-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 107528618
1-cyano-N-[4-fluoro-3-(methanesulfonamido)phenyl]cyclopentane-1-carboxamide
CID 31836255
N-(3-bromo-4-fluorophenyl)-1-cyanocycloheptane-1-carboxamide
CID 104778651
1-cyano-N-(4-fluoro-3-methylphenyl)cyclohexane-1-carboxamide
CID 62812690
1-cyano-N-(2,5-difluoro-4-methylphenyl)cyclopropane-1-carboxamide
CID 103586091
1-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]cyclopentan-1-ol
CID 65210798
N-(cyanomethyl)-N'-[2-fluoro-5-(trifluoromethyl)phenyl]oxamide
CID 63037708
N-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 119705583
N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 2224325
1-cyano-N-(2,5-dimethylphenyl)cyclopentane-1-carboxamide
CID 51246024

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 63037709) is 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is N#CC1(C(=O)Nc2cc(C(F)(F)F)ccc2F)CCCC1.
What is the InChIKey of 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is WTVDJBPWZJENJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F4N2O/c15-10-4-3-9(14(16,17)18)7-11(10)20-12(21)13(8-19)5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,20,21).
What are the key properties of 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 300.25 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-fluoro-5-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 63037709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).