2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C13H12F6N2O — CID 163396148

IUPAC2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CC(F)(F)CC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F6N2O/c14-9-2-1-6(3-8(9)13(17,18)19)21-11(22)7-4-12(15,16)5-10(7)20/h1-3,7,10H,4-5,20H2,(H,21,22)
InChIKeyXRANAVWEHPXDCF-UHFFFAOYSA-N
MW326.24 g/mol
LogP3.16
Rot. Bonds2

About 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 163396148) has the molecular formula C13H12F6N2O and a molecular weight of 326.24 g/mol. Its IUPAC name is 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID163396148
Molecular FormulaC13H12F6N2O
Molecular Weight326.24 g/mol
Exact Mass326.09
IUPAC Name2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1CC(F)(F)CC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C13H12F6N2O/c14-9-2-1-6(3-8(9)13(17,18)19)21-11(22)7-4-12(15,16)5-10(7)20/h1-3,7,10H,4-5,20H2,(H,21,22)
InChIKeyXRANAVWEHPXDCF-UHFFFAOYSA-N
XLogP3.16
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.24
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxolane-3-carboxamide
CID 66235449
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopropanecarboxamide
CID 47081962
N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclohexanecarboxamide
CID 30148120
3-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119709839
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylpyrrolidine-3-carboxamide
CID 79388149
benzene;[4-fluoro-3-(trifluoromethyl)phenyl]carbamic acid
CID 174945939
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
ethane;(4S)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 177139380
N-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 52774182
1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylurea
CID 47456942
4-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]oxane-4-carboxamide
CID 115294569

Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 163396148) is 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is NC1CC(F)(F)CC1C(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is XRANAVWEHPXDCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F6N2O/c14-9-2-1-6(3-8(9)13(17,18)19)21-11(22)7-4-12(15,16)5-10(7)20/h1-3,7,10H,4-5,20H2,(H,21,22).
What are the key properties of 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 326.24 g/mol, XLogP of 3.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluoro-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 163396148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).