N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide

C12H13BrClFN2O — CID 107611969

IUPACN-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C1CCNCC1
InChIInChI=1S/C12H13BrClFN2O/c13-9-5-8(15)6-10(14)11(9)17-12(18)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyCQQJVBOQSCLFKU-UHFFFAOYSA-N
MW335.60 g/mol
LogP3.18
Rot. Bonds2

About N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide

N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide (PubChem CID 107611969) has the molecular formula C12H13BrClFN2O and a molecular weight of 335.60 g/mol. Its IUPAC name is N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
PubChem CID107611969
Molecular FormulaC12H13BrClFN2O
Molecular Weight335.60 g/mol
Exact Mass333.99
IUPAC NameN-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide
SMILESO=C(Nc1c(Cl)cc(F)cc1Br)C1CCNCC1
InChIInChI=1S/C12H13BrClFN2O/c13-9-5-8(15)6-10(14)11(9)17-12(18)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18)
InChIKeyCQQJVBOQSCLFKU-UHFFFAOYSA-N
XLogP3.18
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.60
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-bromo-6-chloro-4-fluorophenyl)azetidine-3-carboxamide
CID 107611945
3-[(2-bromo-6-chloro-4-fluorophenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 107609255
N-(2,6-dichloro-4-fluorophenyl)cyclopropanecarboxamide
CID 82889777
N-(2-bromo-6-chloro-4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 107470607
N-(3,5-difluorophenyl)piperidine-4-carboxamide
CID 18072624
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 107614809
N-(2-bromo-6-chloro-4-fluorophenyl)prop-2-ynamide
CID 107612535
cyclopentyl N-(2-bromo-6-chloro-4-fluorophenyl)carbamate
CID 112738568
N-(2-bromo-6-chloro-4-fluorophenyl)azepane-1-carboxamide
CID 103578333
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-4-carboxamide
CID 106740543
N-(2-bromo-6-chloro-4-fluorophenyl)-2,2-dimethylpropanamide
CID 107612461
N-(2-bromo-6-chloro-4-fluorophenyl)-2-(1,1-dioxo-1,4-thiazinan-3-yl)acetamide
CID 107612021

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide (CID 107611969) is N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide is O=C(Nc1c(Cl)cc(F)cc1Br)C1CCNCC1.
What is the InChIKey of N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide?
The InChIKey is CQQJVBOQSCLFKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClFN2O/c13-9-5-8(15)6-10(14)11(9)17-12(18)7-1-3-16-4-2-7/h5-7,16H,1-4H2,(H,17,18).
What are the key properties of N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide?
N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide has a molecular weight of 335.60 g/mol, XLogP of 3.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-6-chloro-4-fluorophenyl)piperidine-4-carboxamide is sourced from PubChem (CID 107611969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).