N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

C21H23ClN2O2 — CID 113186706

IUPACN-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)15-4-7-18(8-5-15)24-12-16(11-20(24)25)21(26)23-19-9-6-17(22)10-14(19)3/h4-10,13,16H,11-12H2,1-3H3,(H,23,26)
InChIKeyFWWNQBMCOLZJSM-UHFFFAOYSA-N
MW370.88 g/mol
LogP4.76
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide

N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (PubChem CID 113186706) has the molecular formula C21H23ClN2O2 and a molecular weight of 370.88 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
PubChem CID113186706
Molecular FormulaC21H23ClN2O2
Molecular Weight370.88 g/mol
Exact Mass370.14
IUPAC NameN-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
SMILESCc1cc(Cl)ccc1NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1
InChIInChI=1S/C21H23ClN2O2/c1-13(2)15-4-7-18(8-5-15)24-12-16(11-20(24)25)21(26)23-19-9-6-17(22)10-14(19)3/h4-10,13,16H,11-12H2,1-3H3,(H,23,26)
InChIKeyFWWNQBMCOLZJSM-UHFFFAOYSA-N
XLogP4.76
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.88
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-tert-butylphenyl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187278
N-(4-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192017
(3S)-N-(3,4-dimethylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 93018282
(3S)-1-(4-chlorophenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 805632
(3S)-N-(2-fluorophenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 2585689
N-(4-chloro-2-methylphenyl)-1-(2,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186061
(3S)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691179
(3R)-1-(4-chlorophenyl)-N-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 691180
(3R)-N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 40977067
N-(4-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 17201834
(3R)-1-(1-acetyl-2,3-dihydroindol-5-yl)-N-(4-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95098335
(3S)-1-(3,4-dimethylphenyl)-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 9393411

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide (CID 113186706) is N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is Cc1cc(Cl)ccc1NC(=O)C1CC(=O)N(c2ccc(C(C)C)cc2)C1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
The InChIKey is FWWNQBMCOLZJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O2/c1-13(2)15-4-7-18(8-5-15)24-12-16(11-20(24)25)21(26)23-19-9-6-17(22)10-14(19)3/h4-10,13,16H,11-12H2,1-3H3,(H,23,26).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide?
N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide has a molecular weight of 370.88 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-oxo-1-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 113186706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).