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N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide

C19H18BrClN2O2 — CID 1326323

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H18BrClN2O2/c20-15-6-2-4-8-17(15)22-18(24)13-9-11-23(12-10-13)19(25)14-5-1-3-7-16(14)21/h1-8,13H,9-12H2,(H,22,24)
InChIKeyYDUVUMSMZYRDME-UHFFFAOYSA-N
MW421.72 g/mol
LogP4.59
Rot. Bonds3

About N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide

N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 1326323) has the molecular formula C19H18BrClN2O2 and a molecular weight of 421.72 g/mol. Its IUPAC name is N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID1326323
Molecular FormulaC19H18BrClN2O2
Molecular Weight421.72 g/mol
Exact Mass420.02
IUPAC NameN-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccccc2Cl)CC1
InChIInChI=1S/C19H18BrClN2O2/c20-15-6-2-4-8-17(15)22-18(24)13-9-11-23(12-10-13)19(25)14-5-1-3-7-16(14)21/h1-8,13H,9-12H2,(H,22,24)
InChIKeyYDUVUMSMZYRDME-UHFFFAOYSA-N
XLogP4.59
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.72
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide (CID 1326323) is N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccccc1Br)C1CCN(C(=O)c2ccccc2Cl)CC1.
What is the InChIKey of N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is YDUVUMSMZYRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrClN2O2/c20-15-6-2-4-8-17(15)22-18(24)13-9-11-23(12-10-13)19(25)14-5-1-3-7-16(14)21/h1-8,13H,9-12H2,(H,22,24).
What are the key properties of N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide?
N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 421.72 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-1-(2-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1326323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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