N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H19ClN2O3 — CID 113187647

IUPACN-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3C)C2)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-3-6-16(21)10-18(12)23-11-15(9-19(23)25)20(26)22-17-7-4-14(5-8-17)13(2)24/h3-8,10,15H,9,11H2,1-2H3,(H,22,26)
InChIKeyNNEMZAFSCSOCCJ-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.84
Rot. Bonds4

About N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 113187647) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID113187647
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC NameN-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3C)C2)cc1
InChIInChI=1S/C20H19ClN2O3/c1-12-3-6-16(21)10-18(12)23-11-15(9-19(23)25)20(26)22-17-7-4-14(5-8-17)13(2)24/h3-8,10,15H,9,11H2,1-2H3,(H,22,26)
InChIKeyNNEMZAFSCSOCCJ-UHFFFAOYSA-N
XLogP3.84
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 7375127
N-(4-acetylphenyl)-1-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 3114278
(3R)-N-(4-acetamidophenyl)-1-(2,5-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004647
1-(5-chloro-2-methylphenyl)-N-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113187608
1-(4-acetylphenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188951
(3R)-N-(4-acetylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8712792
(3S)-N-(4-acetylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005184
N-(4-acetylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 84916545
N-[4-(cyclopropanecarbonylamino)phenyl]-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051576
(3S)-N-(3-chlorophenyl)-1-(2,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9004912
1-(4-chloro-2-methylphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113187758
(3S)-1-(2,5-dimethylphenyl)-N-(4-iodophenyl)-5-oxopyrrolidine-3-carboxamide
CID 1102102

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 113187647) is N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)c1ccc(NC(=O)C2CC(=O)N(c3cc(Cl)ccc3C)C2)cc1.
What is the InChIKey of N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is NNEMZAFSCSOCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-12-3-6-16(21)10-18(12)23-11-15(9-19(23)25)20(26)22-17-7-4-14(5-8-17)13(2)24/h3-8,10,15H,9,11H2,1-2H3,(H,22,26).
What are the key properties of N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-1-(5-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 113187647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).