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

C19H20ClN3O2 — CID 51324372

IUPAC4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c20-17-9-5-4-8-16(17)18(24)21-15-10-12-23(13-11-15)19(25)22-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25)
InChIKeyMTZHTVNPKRKVJK-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.77
Rot. Bonds3

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

4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide (PubChem CID 51324372) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
PubChem CID51324372
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC Name4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
SMILESO=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl
InChIInChI=1S/C19H20ClN3O2/c20-17-9-5-4-8-16(17)18(24)21-15-10-12-23(13-11-15)19(25)22-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25)
InChIKeyMTZHTVNPKRKVJK-UHFFFAOYSA-N
XLogP3.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[2-(4-chlorobenzoyl)benzoyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46530497
2-chloro-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]benzamide
CID 110819420
4-[(2-chlorobenzoyl)amino]-N-(2-fluorophenyl)piperidine-1-carboxamide
CID 3218437
2-chloro-N-[1-(cyclobutanecarbonyl)piperidin-4-yl]benzamide
CID 110822148
4-(4-benzamidopiperidine-1-carbonyl)-N-phenylpiperidine-1-carboxamide
CID 33308938
4-[(3-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 44754288
methyl 4-[(2-chlorobenzoyl)amino]piperidine-1-carboxylate
CID 47392418
4-[[2-(2-chlorophenoxy)acetyl]amino]-N-phenylpiperidine-1-carboxamide
CID 46700417
4-[(5-bromo-2-fluorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide
CID 46537368
2-chloro-N-[1-(4-phenylbenzoyl)piperidin-4-yl]benzamide
CID 108550779
N-phenyl-4-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonylamino)piperidine-1-carboxamide
CID 51324355
N-(1-butanoylpiperidin-4-yl)-2-chlorobenzamide
CID 110819269

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The IUPAC name of 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide (CID 51324372) is 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide.
What is the SMILES notation for 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The canonical SMILES for 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide is O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1Cl.
What is the InChIKey of 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
The InChIKey is MTZHTVNPKRKVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-17-9-5-4-8-16(17)18(24)21-15-10-12-23(13-11-15)19(25)22-14-6-2-1-3-7-14/h1-9,15H,10-13H2,(H,21,24)(H,22,25).
What are the key properties of 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide?
4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.77, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorobenzoyl)amino]-N-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 51324372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).