1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

C13H14ClF3N2O — CID 60866502

IUPAC1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H14ClF3N2O/c14-8-3-4-10(9(7-8)13(15,16)17)19-11(20)12(18)5-1-2-6-12/h3-4,7H,1-2,5-6,18H2,(H,19,20)
InChIKeyRWOGKGMMIKYNQW-UHFFFAOYSA-N
MW306.72 g/mol
LogP3.57
Rot. Bonds2

About 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (PubChem CID 60866502) has the molecular formula C13H14ClF3N2O and a molecular weight of 306.72 g/mol. Its IUPAC name is 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
PubChem CID60866502
Molecular FormulaC13H14ClF3N2O
Molecular Weight306.72 g/mol
Exact Mass306.07
IUPAC Name1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
SMILESNC1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCCC1
InChIInChI=1S/C13H14ClF3N2O/c14-8-3-4-10(9(7-8)13(15,16)17)19-11(20)12(18)5-1-2-6-12/h3-4,7H,1-2,5-6,18H2,(H,19,20)
InChIKeyRWOGKGMMIKYNQW-UHFFFAOYSA-N
XLogP3.57
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.72
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(5-chloro-2-fluorophenyl)cyclopentane-1-carboxamide
CID 54925189
N-[4-chloro-2-(trifluoromethyl)phenyl]-1-phenylcyclopentane-1-carboxamide
CID 4135962
1-amino-N-[4-cyano-2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81179376
1-amino-N-(4-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 24697846
1-amino-N-[2-(trifluoromethyl)phenyl]cyclobutane-1-carboxamide
CID 81167254
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
1-N'-tert-butyl-1-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108979418
1-N'-[4-chloro-2-(trifluoromethyl)phenyl]-1-N-cyclopropylcyclopropane-1,1-dicarboxamide
CID 108970756
2-[(1-aminocyclobutanecarbonyl)amino]-4-chlorobenzoic acid
CID 81171627
1-amino-N-(4-chloro-2-nitrophenyl)cyclobutane-1-carboxamide
CID 81178795
1-N-butyl-1-N'-[4-chloro-2-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarboxamide
CID 108971149
1-amino-N-[[3-chloro-5-[4-chloro-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 59496500

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide (CID 60866502) is 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is NC1(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)CCCC1.
What is the InChIKey of 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
The InChIKey is RWOGKGMMIKYNQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClF3N2O/c14-8-3-4-10(9(7-8)13(15,16)17)19-11(20)12(18)5-1-2-6-12/h3-4,7H,1-2,5-6,18H2,(H,19,20).
What are the key properties of 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide?
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide has a molecular weight of 306.72 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 60866502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).