N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide

C13H16BrClN2O — CID 113430886

IUPACN-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2Br)CCCCN1
InChIInChI=1S/C13H16BrClN2O/c1-13(6-2-3-7-16-13)12(18)17-11-5-4-9(15)8-10(11)14/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyMKFIULUVDAXEJR-UHFFFAOYSA-N
MW331.64 g/mol
LogP3.57
Rot. Bonds2

About N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide

N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide (PubChem CID 113430886) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
PubChem CID113430886
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide
SMILESCC1(C(=O)Nc2ccc(Cl)cc2Br)CCCCN1
InChIInChI=1S/C13H16BrClN2O/c1-13(6-2-3-7-16-13)12(18)17-11-5-4-9(15)8-10(11)14/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18)
InChIKeyMKFIULUVDAXEJR-UHFFFAOYSA-N
XLogP3.57
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(5-chloro-2-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368554
N-(2-chloro-5-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 107528549
(2R)-N-(2-benzoyl-4-chlorophenyl)-2-methylpyrrolidine-2-carboxamide
CID 134400651
4-bromo-2-[(2-methylpiperidine-2-carbonyl)amino]benzoic acid
CID 104596607
N-(2-bromo-4,6-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 104597094
N-(4-bromo-3-methylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368545
N-(2-chloro-4,6-difluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597189
(4-chlorophenyl)-(2-methylpiperidin-2-yl)methanone
CID 116614044
N-(4-fluoro-2-methoxyphenyl)-2-methylpiperidine-2-carboxamide
CID 104596685
N-(2,3-dimethylphenyl)-2-methylpiperidine-2-carboxamide
CID 113368535
N-(2-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104597157
N-(3-cyano-4-fluorophenyl)-2-methylpiperidine-2-carboxamide
CID 104596735

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide?
The IUPAC name of N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide (CID 113430886) is N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide.
What is the SMILES notation for N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide?
The canonical SMILES for N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide is CC1(C(=O)Nc2ccc(Cl)cc2Br)CCCCN1.
What is the InChIKey of N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide?
The InChIKey is MKFIULUVDAXEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-13(6-2-3-7-16-13)12(18)17-11-5-4-9(15)8-10(11)14/h4-5,8,16H,2-3,6-7H2,1H3,(H,17,18).
What are the key properties of N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide?
N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 3.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-chlorophenyl)-2-methylpiperidine-2-carboxamide is sourced from PubChem (CID 113430886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).