4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide

C26H24ClN3O3 — CID 46530497

IUPAC4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c27-19-12-10-18(11-13-19)24(31)22-8-4-5-9-23(22)25(32)28-21-14-16-30(17-15-21)26(33)29-20-6-2-1-3-7-20/h1-13,21H,14-17H2,(H,28,32)(H,29,33)
InChIKeyNORHSJWOGBGVOD-UHFFFAOYSA-N
MW461.95 g/mol
LogP5.00
Rot. Bonds5

About 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide

4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 46530497) has the molecular formula C26H24ClN3O3 and a molecular weight of 461.95 g/mol. Its IUPAC name is 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
PubChem CID46530497
Molecular FormulaC26H24ClN3O3
Molecular Weight461.95 g/mol
Exact Mass461.15
IUPAC Name4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H24ClN3O3/c27-19-12-10-18(11-13-19)24(31)22-8-4-5-9-23(22)25(32)28-21-14-16-30(17-15-21)26(33)29-20-6-2-1-3-7-20/h1-13,21H,14-17H2,(H,28,32)(H,29,33)
InChIKeyNORHSJWOGBGVOD-UHFFFAOYSA-N
XLogP5.00
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.95
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 51324372
2-(4-chlorobenzoyl)-N-cyclopentylbenzamide
CID 11841269
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
2-(4-chlorobenzoyl)-N-cycloheptylbenzamide
CID 11841438
4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46537368
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
N-phenyl-4-[(4-pyrrol-1-ylbenzoyl)amino]piperidine-1-carboxamide
CID 25409335
N-(4-chlorophenyl)-4-(methylamino)piperidine-1-carboxamide;hydrochloride
CID 165430478
N-phenyl-4-[[4-(phenylsulfamoyl)benzoyl]amino]piperidine-1-carboxamide
CID 46537325
N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
CID 51324355
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437
4-[(2-fluorobenzoyl)amino]-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 43814081

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide (CID 46530497) is 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is NORHSJWOGBGVOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24ClN3O3/c27-19-12-10-18(11-13-19)24(31)22-8-4-5-9-23(22)25(32)28-21-14-16-30(17-15-21)26(33)29-20-6-2-1-3-7-20/h1-13,21H,14-17H2,(H,28,32)(H,29,33).
What are the key properties of 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide?
4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 461.95 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 46530497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).