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

C12H15BrClN3O — CID 171916677

IUPACN-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1cc(Br)c(Cl)cc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H15BrClN3O/c1-8-6-9(13)10(14)7-11(8)16-12(18)17-4-2-15-3-5-17/h6-7,15H,2-5H2,1H3,(H,16,18)
InChIKeyQUMLDAKVKTTWGF-UHFFFAOYSA-N
MW332.63 g/mol
LogP2.85
Rot. Bonds1

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

N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide (PubChem CID 171916677) has the molecular formula C12H15BrClN3O and a molecular weight of 332.63 g/mol. Its IUPAC name is N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
PubChem CID171916677
Molecular FormulaC12H15BrClN3O
Molecular Weight332.63 g/mol
Exact Mass331.01
IUPAC NameN-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide
SMILESCc1cc(Br)c(Cl)cc1NC(=O)N1CCNCC1
InChIInChI=1S/C12H15BrClN3O/c1-8-6-9(13)10(14)7-11(8)16-12(18)17-4-2-15-3-5-17/h6-7,15H,2-5H2,1H3,(H,16,18)
InChIKeyQUMLDAKVKTTWGF-UHFFFAOYSA-N
XLogP2.85
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.63
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-5-chloro-2-methylphenyl)-4-methylpiperidine-1-carboxamide
CID 171916668
N-(4-chloro-2-methylphenyl)piperazine-1-carboxamide
CID 22615613
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-3-methylphenyl)piperazine-1-carboxamide
CID 82094622
N-(2,3,5,6-tetramethylphenyl)piperazine-1-carboxamide
CID 82302374
N-(5-bromo-4-fluoro-2-methylphenyl)azepane-1-carboxamide
CID 103274750
N-(2,5-dichloro-4-methylphenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 104727779
N-(4-bromo-2-fluorophenyl)piperazine-1-carboxamide
CID 171854873
N-(4-bromo-3-chlorophenyl)-2-oxo-2-piperazin-1-ylacetamide
CID 107614812
N-(2,4-difluorophenyl)piperazine-1-carboxamide
CID 43288448
5-hydroxy-2-(piperazine-1-carbonylamino)benzoic acid
CID 61406146

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide?
The IUPAC name of N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide (CID 171916677) is N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide is Cc1cc(Br)c(Cl)cc1NC(=O)N1CCNCC1.
What is the InChIKey of N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide?
The InChIKey is QUMLDAKVKTTWGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN3O/c1-8-6-9(13)10(14)7-11(8)16-12(18)17-4-2-15-3-5-17/h6-7,15H,2-5H2,1H3,(H,16,18).
What are the key properties of N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide?
N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide has a molecular weight of 332.63 g/mol, XLogP of 2.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-5-chloro-2-methylphenyl)piperazine-1-carboxamide is sourced from PubChem (CID 171916677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).