N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide

C19H17BrClFN2O2 — CID 1209929

IUPACN-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17BrClFN2O2/c20-14-4-5-17(16(22)11-14)23-18(25)12-6-8-24(9-7-12)19(26)13-2-1-3-15(21)10-13/h1-5,10-12H,6-9H2,(H,23,25)
InChIKeyDXPBOTHBQMREHL-UHFFFAOYSA-N
MW439.71 g/mol
LogP4.73
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide (PubChem CID 1209929) has the molecular formula C19H17BrClFN2O2 and a molecular weight of 439.71 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide
PubChem CID1209929
Molecular FormulaC19H17BrClFN2O2
Molecular Weight439.71 g/mol
Exact Mass438.01
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C19H17BrClFN2O2/c20-14-4-5-17(16(22)11-14)23-18(25)12-6-8-24(9-7-12)19(26)13-2-1-3-15(21)10-13/h1-5,10-12H,6-9H2,(H,23,25)
InChIKeyDXPBOTHBQMREHL-UHFFFAOYSA-N
XLogP4.73
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.71
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide (CID 1209929) is N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is DXPBOTHBQMREHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrClFN2O2/c20-14-4-5-17(16(22)11-14)23-18(25)12-6-8-24(9-7-12)19(26)13-2-1-3-15(21)10-13/h1-5,10-12H,6-9H2,(H,23,25).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 439.71 g/mol, XLogP of 4.73, 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-fluorophenyl)-1-(3-chlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1209929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).