N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide

C13H16BrClN2O — CID 81273796

IUPACN-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C13H16BrClN2O/c1-9-3-2-6-17(8-9)13(18)16-12-7-10(15)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyJGSVVWBCMLOZKT-UHFFFAOYSA-N
MW331.64 g/mol
LogP4.37
Rot. Bonds1

About N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide

N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide (PubChem CID 81273796) has the molecular formula C13H16BrClN2O and a molecular weight of 331.64 g/mol. Its IUPAC name is N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
PubChem CID81273796
Molecular FormulaC13H16BrClN2O
Molecular Weight331.64 g/mol
Exact Mass330.01
IUPAC NameN-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)Nc2cc(Cl)ccc2Br)C1
InChIInChI=1S/C13H16BrClN2O/c1-9-3-2-6-17(8-9)13(18)16-12-7-10(15)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18)
InChIKeyJGSVVWBCMLOZKT-UHFFFAOYSA-N
XLogP4.37
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.64
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,4-dichlorophenyl)-3-methylpiperidine-1-carboxamide
CID 4591854
N-(4-chloro-2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 17250026
(3R)-N-(4-bromo-2-chlorophenyl)-3-methylpiperidine-1-carboxamide
CID 40635770
4-[(2-bromo-5-chlorophenyl)carbamoyl]morpholine-2-carboxylic acid
CID 81280527
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335752
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
N-(4-chlorophenyl)-3-methylpiperidine-1-carboxamide;formic acid
CID 143206932
(3R)-N-(2-fluorophenyl)-3-methylpiperidine-1-carboxamide
CID 41097666
N-(2-bromo-4-chlorophenyl)piperidine-1-carboxamide
CID 81272029
1-[(2,5-dibromophenyl)carbamoyl]piperidine-3-carboxylic acid
CID 61468314
1-[(2-bromo-5-chlorophenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 81280174
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide (CID 81273796) is N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)Nc2cc(Cl)ccc2Br)C1.
What is the InChIKey of N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide?
The InChIKey is JGSVVWBCMLOZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrClN2O/c1-9-3-2-6-17(8-9)13(18)16-12-7-10(15)4-5-11(12)14/h4-5,7,9H,2-3,6,8H2,1H3,(H,16,18).
What are the key properties of N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide?
N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide has a molecular weight of 331.64 g/mol, XLogP of 4.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-chlorophenyl)-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 81273796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).