1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

C13H15ClF4N2O — CID 119281826

IUPAC1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H14F4N2O.ClH/c14-10-4-3-8(7-9(10)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);1H
InChIKeyURUBBMVJVUUGOG-UHFFFAOYSA-N
MW326.72 g/mol
LogP3.48
Rot. Bonds2

About 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119281826) has the molecular formula C13H15ClF4N2O and a molecular weight of 326.72 g/mol. Its IUPAC name is 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119281826
Molecular FormulaC13H15ClF4N2O
Molecular Weight326.72 g/mol
Exact Mass326.08
IUPAC Name1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1
InChIInChI=1S/C13H14F4N2O.ClH/c14-10-4-3-8(7-9(10)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);1H
InChIKeyURUBBMVJVUUGOG-UHFFFAOYSA-N
XLogP3.48
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.72
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 115294569
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CID 81168565
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
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1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119280057
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
CID 104778247
1-amino-N-[4-chloro-2-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide
CID 60866502
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-[3-(cyclopropylsulfamoyl)-4-fluorophenyl]cyclohexane-1-carboxamide;hydrochloride
CID 119331454
1-amino-N-(3,5-difluorophenyl)cyclopentane-1-carboxamide;hydrochloride
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CID 81179055

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride (CID 119281826) is 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)CCCC1.
What is the InChIKey of 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is URUBBMVJVUUGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O.ClH/c14-10-4-3-8(7-9(10)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);1H.
What are the key properties of 1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 326.72 g/mol, XLogP of 3.48, 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-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119281826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).