N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide

C19H16BrCl2FN2O2 — CID 1327463

IUPACN-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H16BrCl2FN2O2/c20-12-1-4-17(16(23)9-12)24-18(26)11-5-7-25(8-6-11)19(27)14-3-2-13(21)10-15(14)22/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyJPPGGTCAWRLSPD-UHFFFAOYSA-N
MW474.16 g/mol
LogP5.39
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide

N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide (PubChem CID 1327463) has the molecular formula C19H16BrCl2FN2O2 and a molecular weight of 474.16 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
PubChem CID1327463
Molecular FormulaC19H16BrCl2FN2O2
Molecular Weight474.16 g/mol
Exact Mass471.98
IUPAC NameN-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C19H16BrCl2FN2O2/c20-12-1-4-17(16(23)9-12)24-18(26)11-5-7-25(8-6-11)19(27)14-3-2-13(21)10-15(14)22/h1-4,9-11H,5-8H2,(H,24,26)
InChIKeyJPPGGTCAWRLSPD-UHFFFAOYSA-N
XLogP5.39
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.16
LogP ≤ 55.39
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-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide (CID 1327463) is N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide is O=C(Nc1ccc(Br)cc1F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
The InChIKey is JPPGGTCAWRLSPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl2FN2O2/c20-12-1-4-17(16(23)9-12)24-18(26)11-5-7-25(8-6-11)19(27)14-3-2-13(21)10-15(14)22/h1-4,9-11H,5-8H2,(H,24,26).
What are the key properties of N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide?
N-(4-bromo-2-fluorophenyl)-1-(2,4-dichlorobenzoyl)piperidine-4-carboxamide has a molecular weight of 474.16 g/mol, XLogP of 5.39, 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-(2,4-dichlorobenzoyl)piperidine-4-carboxamide is sourced from PubChem (CID 1327463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).