N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide

C14H18BrClN2O — CID 171916668

IUPACN-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCc1cc(Br)c(Cl)cc1NC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H18BrClN2O/c1-9-3-5-18(6-4-9)14(19)17-13-8-12(16)11(15)7-10(13)2/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyACWFARPEOPVIIS-UHFFFAOYSA-N
MW345.67 g/mol
LogP4.67
Rot. Bonds1

About N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide

N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide (PubChem CID 171916668) has the molecular formula C14H18BrClN2O and a molecular weight of 345.67 g/mol. Its IUPAC name is N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide
PubChem CID171916668
Molecular FormulaC14H18BrClN2O
Molecular Weight345.67 g/mol
Exact Mass344.03
IUPAC NameN-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide
SMILESCc1cc(Br)c(Cl)cc1NC(=O)N1CCC(C)CC1
InChIInChI=1S/C14H18BrClN2O/c1-9-3-5-18(6-4-9)14(19)17-13-8-12(16)11(15)7-10(13)2/h7-9H,3-6H2,1-2H3,(H,17,19)
InChIKeyACWFARPEOPVIIS-UHFFFAOYSA-N
XLogP4.67
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.67
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 171916677
tert-butyl N-[1-[(4-bromo-5-chloro-2-methylphenyl)carbamoyl]piperidin-4-yl]carbamate
CID 171916671
tert-butyl N-[1-[(4-bromo-5-chloro-2-methylphenyl)carbamoyl]piperidin-4-yl]-N-methylcarbamate
CID 171916672
N-(4-bromo-2-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 17262885
N-(2-chloro-4,6-dimethylphenyl)-4-methylpiperidine-1-carboxamide
CID 108987995
N-(2-chloro-4-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223020
N-(4-chloro-2-iodophenyl)-4-methylpiperidine-1-carboxamide
CID 103767711
N-(2-amino-5-chlorophenyl)-4-methylpiperidine-1-carboxamide
CID 79152139
1-[(5-bromo-2,4-dimethylphenyl)carbamoyl]-5-methylpiperidine-3-carboxylic acid
CID 122102886
N-(4-chloro-3-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 113223585
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750
N-(3-chloro-5-fluorophenyl)-4-methylpiperidine-1-carboxamide
CID 103774793

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide?
The IUPAC name of N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide (CID 171916668) is N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide?
The canonical SMILES for N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide is Cc1cc(Br)c(Cl)cc1NC(=O)N1CCC(C)CC1.
What is the InChIKey of N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide?
The InChIKey is ACWFARPEOPVIIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrClN2O/c1-9-3-5-18(6-4-9)14(19)17-13-8-12(16)11(15)7-10(13)2/h7-9H,3-6H2,1-2H3,(H,17,19).
What are the key properties of N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide?
N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide has a molecular weight of 345.67 g/mol, XLogP of 4.67, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide is sourced from PubChem (CID 171916668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).