N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

C20H20BrClN2O2 — CID 17119229

IUPACN-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20BrClN2O2/c1-13-12-16(21)4-7-18(13)23-19(25)14-8-10-24(11-9-14)20(26)15-2-5-17(22)6-3-15/h2-7,12,14H,8-11H2,1H3,(H,23,25)
InChIKeyHTGYPABXRIIBBI-UHFFFAOYSA-N
MW435.75 g/mol
LogP4.90
Rot. Bonds3

About N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide

N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 17119229) has the molecular formula C20H20BrClN2O2 and a molecular weight of 435.75 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID17119229
Molecular FormulaC20H20BrClN2O2
Molecular Weight435.75 g/mol
Exact Mass434.04
IUPAC NameN-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
SMILESCc1cc(Br)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H20BrClN2O2/c1-13-12-16(21)4-7-18(13)23-19(25)14-8-10-24(11-9-14)20(26)15-2-5-17(22)6-3-15/h2-7,12,14H,8-11H2,1H3,(H,23,25)
InChIKeyHTGYPABXRIIBBI-UHFFFAOYSA-N
XLogP4.90
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.75
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromo-2-methylphenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 17223908
N-(4-chloro-2-methylphenyl)-1-(3,4-dimethylbenzoyl)piperidine-4-carboxamide
CID 113007282
N-(4-chloro-2-methylphenyl)-1-(3,4-difluorobenzoyl)piperidine-4-carboxamide
CID 113007286
1-(4-chlorobenzoyl)-N-(2-hydroxy-4-methylphenyl)piperidine-4-carboxamide
CID 9495612
N-(4-chloro-2-methylphenyl)-1-[4-(trifluoromethyl)benzoyl]piperidine-4-carboxamide
CID 41171917
4-N-(4-bromo-2-methylphenyl)-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 56922800
N-(4-chloro-2-methylphenyl)-1-(3-methylbenzoyl)piperidine-4-carboxamide
CID 113007275
N-(4-chloro-2-methylphenyl)-1-(3-fluorobenzoyl)piperidine-4-carboxamide
CID 113007278
N-(4-chloro-2-fluorophenyl)-1-(4-fluorobenzoyl)piperidine-4-carboxamide
CID 7961244
N-(6-bromo-1,3-benzothiazol-2-yl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide
CID 167759023
1-[(4-bromophenyl)methyl]-N-(4-chloro-2-methylphenyl)piperidine-4-carboxamide
CID 43921575
N-(4-bromo-2-methylphenyl)cyclohexanecarboxamide
CID 798737

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide (CID 17119229) is N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide is Cc1cc(Br)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is HTGYPABXRIIBBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrClN2O2/c1-13-12-16(21)4-7-18(13)23-19(25)14-8-10-24(11-9-14)20(26)15-2-5-17(22)6-3-15/h2-7,12,14H,8-11H2,1H3,(H,23,25).
What are the key properties of N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide?
N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 435.75 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylphenyl)-1-(4-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 17119229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).