N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride

C12H15BrClFN2O — CID 119281108

IUPACN-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(Br)c1)C1CCCNC1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8;/h3-4,6,8,15H,1-2,5,7H2,(H,16,17);1H
InChIKeyUGHFGWTVYRKUIM-UHFFFAOYSA-N
MW337.62 g/mol
LogP2.95
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride

N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride (PubChem CID 119281108) has the molecular formula C12H15BrClFN2O and a molecular weight of 337.62 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
PubChem CID119281108
Molecular FormulaC12H15BrClFN2O
Molecular Weight337.62 g/mol
Exact Mass336.00
IUPAC NameN-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
SMILESCl.O=C(Nc1ccc(F)c(Br)c1)C1CCCNC1
InChIInChI=1S/C12H14BrFN2O.ClH/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8;/h3-4,6,8,15H,1-2,5,7H2,(H,16,17);1H
InChIKeyUGHFGWTVYRKUIM-UHFFFAOYSA-N
XLogP2.95
TPSA41.13 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 ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-N-[4-bromo-3-(trifluoromethyl)phenyl]piperidine-3-carboxamide
CID 81123334
N-(3-carbamoyl-4-fluorophenyl)piperidine-3-carboxamide
CID 43706556
2-fluoro-4-[[(3S)-piperidine-3-carbonyl]amino]benzoic acid
CID 107795041
N-[4-fluoro-3-[(2-phenylacetyl)amino]phenyl]piperidine-3-carboxamide;hydrochloride
CID 119289646
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107068566
(3-bromo-4-fluorophenyl)-piperidin-3-ylmethanone
CID 79736726
N-(2-bromo-4-chlorophenyl)piperidine-3-carboxamide
CID 81263705
N-(3-fluoro-5-methylphenyl)piperidine-3-carboxamide
CID 79050344
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
N-(2-fluoro-5-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119264146
N-(3-bromo-4-fluorophenyl)oxane-4-carboxamide
CID 115661522
N-(3-carbamoyl-4-fluorophenyl)pyrrolidine-3-carboxamide
CID 63007085

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride?
The IUPAC name of N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride (CID 119281108) is N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride is Cl.O=C(Nc1ccc(F)c(Br)c1)C1CCCNC1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride?
The InChIKey is UGHFGWTVYRKUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O.ClH/c13-10-6-9(3-4-11(10)14)16-12(17)8-2-1-5-15-7-8;/h3-4,6,8,15H,1-2,5,7H2,(H,16,17);1H.
What are the key properties of N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride?
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride has a molecular weight of 337.62 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 119281108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).