N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide

C12H14BrFN2O — CID 115733745

IUPACN-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)C1CCCCN1
InChIInChI=1S/C12H14BrFN2O/c13-9-7-8(4-5-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)
InChIKeyJEMZSSMMQDYNEM-UHFFFAOYSA-N
MW301.16 g/mol
LogP2.67
Rot. Bonds2

About N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide

N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide (PubChem CID 115733745) has the molecular formula C12H14BrFN2O and a molecular weight of 301.16 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
PubChem CID115733745
Molecular FormulaC12H14BrFN2O
Molecular Weight301.16 g/mol
Exact Mass300.03
IUPAC NameN-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(Br)c1)C1CCCCN1
InChIInChI=1S/C12H14BrFN2O/c13-9-7-8(4-5-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17)
InChIKeyJEMZSSMMQDYNEM-UHFFFAOYSA-N
XLogP2.67
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.16
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-fluoro-3-methylphenyl)piperidine-2-carboxamide
CID 62814041
N-(3,4-difluorophenyl)pyrrolidine-2-carboxamide
CID 18073046
(2R)-N-(3-carbamoyl-4-fluorophenyl)piperidine-2-carboxamide
CID 103808664
(2S)-N-(4-bromo-3-iodophenyl)piperidine-2-carboxamide
CID 113266605
(2R)-N-(4-bromo-3-chlorophenyl)piperidine-2-carboxamide
CID 107620300
(2R)-N-[4-fluoro-3-(methanesulfonamido)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119702945
2-bromo-5-(piperidine-2-carbonylamino)benzoic acid
CID 115296363
N-(4-bromo-3-chlorophenyl)azepane-2-carboxamide
CID 107620238
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
(2S)-N-(4-bromophenyl)piperidine-2-carboxamide;hydrochloride
CID 119670350
(2S)-N-(3,4,5-trifluorophenyl)piperidine-2-carboxamide
CID 113266184
2-bromo-4-(pyrrolidine-2-carbonylamino)benzoic acid
CID 123473480

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide (CID 115733745) is N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide is O=C(Nc1ccc(F)c(Br)c1)C1CCCCN1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide?
The InChIKey is JEMZSSMMQDYNEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrFN2O/c13-9-7-8(4-5-10(9)14)16-12(17)11-3-1-2-6-15-11/h4-5,7,11,15H,1-3,6H2,(H,16,17).
What are the key properties of N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide?
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide has a molecular weight of 301.16 g/mol, XLogP of 2.67, 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-2-carboxamide is sourced from PubChem (CID 115733745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).