chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide

C25H24Cl2N2O2 — CID 143538627

IUPACchlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(C2NC(=O)CCC2C(=O)Nc2cccc(Cl)c2)c1.Clc1ccccc1
InChIInChI=1S/C19H19ClN2O2.C6H5Cl/c1-12-4-2-5-13(10-12)18-16(8-9-17(23)22-18)19(24)21-15-7-3-6-14(20)11-15;7-6-4-2-1-3-5-6/h2-7,10-11,16,18H,8-9H2,1H3,(H,21,24)(H,22,23);1-5H
InChIKeyPYYUQPRYYHYFDV-UHFFFAOYSA-N
MW455.39 g/mol
LogP6.19
Rot. Bonds3

About chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide

chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide (PubChem CID 143538627) has the molecular formula C25H24Cl2N2O2 and a molecular weight of 455.39 g/mol. Its IUPAC name is chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide.

Molecular Properties

Compound Namechlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide
PubChem CID143538627
Molecular FormulaC25H24Cl2N2O2
Molecular Weight455.39 g/mol
Exact Mass454.12
IUPAC Namechlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide
SMILESCc1cccc(C2NC(=O)CCC2C(=O)Nc2cccc(Cl)c2)c1.Clc1ccccc1
InChIInChI=1S/C19H19ClN2O2.C6H5Cl/c1-12-4-2-5-13(10-12)18-16(8-9-17(23)22-18)19(24)21-15-7-3-6-14(20)11-15;7-6-4-2-1-3-5-6/h2-7,10-11,16,18H,8-9H2,1H3,(H,21,24)(H,22,23);1-5H
InChIKeyPYYUQPRYYHYFDV-UHFFFAOYSA-N
XLogP6.19
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.39
LogP ≤ 56.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-3-methylbenzene;(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide
CID 143538355
(2S)-N-(3-chlorophenyl)-2-[(E)-hept-2-en-3-yl]-6-oxopiperidine-3-carboxamide
CID 143538356
(2S,4R)-N,4-bis(3-chlorophenyl)-2-(2-hydroxy-5-methylphenyl)-6-oxopiperidine-3-carboxamide;ethane
CID 143819886
trans-(1R,2R)-N-(3-chlorophenyl)-2-phenylcyclopropane-1-carboxamide
CID 792382
1-N-(3-chlorophenyl)-2-N-phenylcyclopropane-1,2-dicarboxamide
CID 109140819
4-N-(3-chlorophenyl)-1-N-(4-methylphenyl)cyclohexane-1,4-dicarboxamide
CID 109150478
5-(3-chlorophenyl)-N-(3-methylphenyl)pyrazolidine-3-carboxamide
CID 74623711
(1S)-N-(3-chlorophenyl)-2,2-bis(3-methylphenyl)cyclopropane-1-carboxamide
CID 7033241
2-[(3-chlorophenyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 53270444
N-(3-chlorophenyl)-6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 2874394
(2S,4R)-N-(3-chlorophenyl)-2-(2-cyclohexyloxy-5-methylphenyl)-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143820122
(2S,4R)-N-(3-chlorophenyl)-2-[5-fluoro-2-(4-methylphenoxy)phenyl]-4-(3-fluorophenyl)-6-oxopiperidine-3-carboxamide
CID 143819937

Frequently Asked Questions

What is the IUPAC name of chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide?
The IUPAC name of chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide (CID 143538627) is chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide.
What is the SMILES notation for chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide?
The canonical SMILES for chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide is Cc1cccc(C2NC(=O)CCC2C(=O)Nc2cccc(Cl)c2)c1.Clc1ccccc1.
What is the InChIKey of chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide?
The InChIKey is PYYUQPRYYHYFDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2.C6H5Cl/c1-12-4-2-5-13(10-12)18-16(8-9-17(23)22-18)19(24)21-15-7-3-6-14(20)11-15;7-6-4-2-1-3-5-6/h2-7,10-11,16,18H,8-9H2,1H3,(H,21,24)(H,22,23);1-5H.
What are the key properties of chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide?
chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide has a molecular weight of 455.39 g/mol, XLogP of 6.19, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chlorobenzene;(2S)-N-(3-chlorophenyl)-2-(3-methylphenyl)-6-oxopiperidine-3-carboxamide is sourced from PubChem (CID 143538627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).