1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride

C12H15BrClFN2O — CID 119280057

IUPAC1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-9-4-3-8(7-10(9)14)16-11(17)12(15)5-1-2-6-12;/h3-4,7H,1-2,5-6,15H2,(H,16,17);1H
InChIKeyGNNLSRPHNVLYEX-UHFFFAOYSA-N
MW337.62 g/mol
LogP3.22
Rot. Bonds2

About 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride

1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119280057) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
PubChem CID119280057
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC Name1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1(C(=O)Nc2ccc(Br)c(F)c2)CCCC1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-9-4-3-8(7-10(9)14)16-11(17)12(15)5-1-2-6-12;/h3-4,7H,1-2,5-6,15H2,(H,16,17);1H
InChIKeyGNNLSRPHNVLYEX-UHFFFAOYSA-N
XLogP3.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.62
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-amino-N-(4-bromo-3-fluorophenyl)cyclohexane-1-carboxamide
CID 65436937
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119281111
4-amino-N-(4-bromo-3-fluorophenyl)oxane-4-carboxamide
CID 113280837
1-amino-N-(3-bromo-4-fluorophenyl)cyclohexane-1-carboxamide
CID 115733761
1-amino-N-(3-bromo-4-fluorophenyl)cyclobutane-1-carboxamide
CID 104778247
1-amino-N-(4-bromo-3-methylphenyl)cyclopentane-1-carboxamide
CID 54925430
1-(aminomethyl)-N-(4-bromo-3-fluorophenyl)cycloheptane-1-carboxamide
CID 115444172
1-amino-N-(4-chloro-3-fluorophenyl)cyclobutane-1-carboxamide
CID 81179055
1-amino-N-[4-fluoro-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 119281826
1-amino-N-(4-fluorophenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119261942
1-amino-N-(4-bromo-3-methylphenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119673461
1-amino-N-(4-chloro-3-fluorophenyl)cyclopropane-1-carboxamide;hydrochloride
CID 119708317

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride (CID 119280057) is 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride is Cl.NC1(C(=O)Nc2ccc(Br)c(F)c2)CCCC1.
What is the InChIKey of 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is GNNLSRPHNVLYEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O.ClH/c13-9-4-3-8(7-10(9)14)16-11(17)12(15)5-1-2-6-12;/h3-4,7H,1-2,5-6,15H2,(H,16,17);1H.
What are the key properties of 1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-(4-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 337.62 g/mol, XLogP of 3.22, 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-bromo-3-fluorophenyl)cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119280057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).