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

C13H16BrFN2O — CID 107068566

IUPACN-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrFN2O/c1-8-3-2-6-16-12(8)13(18)17-9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyAGDUPGYQEZKXPE-UHFFFAOYSA-N
MW315.19 g/mol
LogP2.91
Rot. Bonds2

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

N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide (PubChem CID 107068566) has the molecular formula C13H16BrFN2O and a molecular weight of 315.19 g/mol. Its IUPAC name is N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
PubChem CID107068566
Molecular FormulaC13H16BrFN2O
Molecular Weight315.19 g/mol
Exact Mass314.04
IUPAC NameN-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
SMILESCC1CCCNC1C(=O)Nc1ccc(F)c(Br)c1
InChIInChI=1S/C13H16BrFN2O/c1-8-3-2-6-16-12(8)13(18)17-9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18)
InChIKeyAGDUPGYQEZKXPE-UHFFFAOYSA-N
XLogP2.91
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.19
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-4-iodophenyl)-3-methylpiperidine-2-carboxamide
CID 114262076
N-(3-carbamoyl-4-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107067383
(2R,3S)-N-(3-bromo-4-fluorophenyl)-2-methylmorpholine-3-carboxamide;hydrochloride
CID 120922063
N-(3-bromo-4-fluorophenyl)piperidine-2-carboxamide
CID 115733745
N-(2-bromo-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107625732
N-(3-bromo-4-fluorophenyl)piperidine-3-carboxamide;hydrochloride
CID 119281108
2-bromo-5-[(3-methylpyrrolidine-2-carbonyl)amino]benzoic acid
CID 102779861
N-(3-chloro-5-fluorophenyl)-3-methylpiperidine-2-carboxamide
CID 107365880
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpyrrolidine-2-carboxamide
CID 102779041
3-methyl-N-(2,3,5,6-tetrafluorophenyl)piperidine-2-carboxamide
CID 107641806
N-(2,6-difluoro-3-methylphenyl)-3-methylpiperidine-2-carboxamide
CID 82819007
4-fluoro-3-[(3-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 107067490

Frequently Asked Questions

What is the IUPAC name of N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The IUPAC name of N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide (CID 107068566) is N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide is CC1CCCNC1C(=O)Nc1ccc(F)c(Br)c1.
What is the InChIKey of N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
The InChIKey is AGDUPGYQEZKXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrFN2O/c1-8-3-2-6-16-12(8)13(18)17-9-4-5-11(15)10(14)7-9/h4-5,7-8,12,16H,2-3,6H2,1H3,(H,17,18).
What are the key properties of N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide?
N-(3-bromo-4-fluorophenyl)-3-methylpiperidine-2-carboxamide has a molecular weight of 315.19 g/mol, XLogP of 2.91, 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)-3-methylpiperidine-2-carboxamide is sourced from PubChem (CID 107068566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).