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

C20H20ClN3O3 — CID 17080885

IUPACN-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-6-7-17(10-18(12)21)24-11-14(8-19(24)26)20(27)23-16-5-3-4-15(9-16)22-13(2)25/h3-7,9-10,14H,8,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyVJTXODMHZWOUTO-UHFFFAOYSA-N
MW385.85 g/mol
LogP3.60
Rot. Bonds4

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

N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 17080885) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID17080885
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC NameN-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1
InChIInChI=1S/C20H20ClN3O3/c1-12-6-7-17(10-18(12)21)24-11-14(8-19(24)26)20(27)23-16-5-3-4-15(9-16)22-13(2)25/h3-7,9-10,14H,8,11H2,1-2H3,(H,22,25)(H,23,27)
InChIKeyVJTXODMHZWOUTO-UHFFFAOYSA-N
XLogP3.60
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3-acetamidophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7438889
methyl 3-[[1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113187822
N,1-bis(3-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113189064
1-(3-chloro-4-methylphenyl)-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 6462969
N-(3-acetamidophenyl)-1-(4-acetamidophenyl)-5-oxopyrrolidine-3-carboxamide
CID 17120079
N-(3-chlorophenyl)-1-(3,4-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2931278
N-(3-chloro-4-methylphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3098865
1-(4-acetylphenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188951
(3S)-1-(3-acetamidophenyl)-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92727129
1-(3-acetamidophenyl)-N-(3-chloro-2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 50838030
1-(3-chloro-4-methylphenyl)-N-[4-(dimethylamino)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 3153872
1-(4-bromophenyl)-N-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2889867

Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 17080885) is N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is CC(=O)Nc1cccc(NC(=O)C2CC(=O)N(c3ccc(C)c(Cl)c3)C2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is VJTXODMHZWOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-12-6-7-17(10-18(12)21)24-11-14(8-19(24)26)20(27)23-16-5-3-4-15(9-16)22-13(2)25/h3-7,9-10,14H,8,11H2,1-2H3,(H,22,25)(H,23,27).
What are the key properties of N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 385.85 g/mol, XLogP of 3.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-(3-chloro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 17080885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).