N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

C20H21ClN2O2 — CID 84916553

IUPACN-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1CC(C(=O)Nc2cccc(Cl)c2C)CC1=O
InChIInChI=1S/C20H21ClN2O2/c1-12-6-4-7-13(2)19(12)23-11-15(10-18(23)24)20(25)22-17-9-5-8-16(21)14(17)3/h4-9,15H,10-11H2,1-3H3,(H,22,25)
InChIKeyFCJFPUOKWPYJOI-UHFFFAOYSA-N
MW356.85 g/mol
LogP4.26
Rot. Bonds3

About N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide

N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 84916553) has the molecular formula C20H21ClN2O2 and a molecular weight of 356.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID84916553
Molecular FormulaC20H21ClN2O2
Molecular Weight356.85 g/mol
Exact Mass356.13
IUPAC NameN-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCc1cccc(C)c1N1CC(C(=O)Nc2cccc(Cl)c2C)CC1=O
InChIInChI=1S/C20H21ClN2O2/c1-12-6-4-7-13(2)19(12)23-11-15(10-18(23)24)20(25)22-17-9-5-8-16(21)14(17)3/h4-9,15H,10-11H2,1-3H3,(H,22,25)
InChIKeyFCJFPUOKWPYJOI-UHFFFAOYSA-N
XLogP4.26
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.85
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-(3-chloro-2-methylphenyl)-1-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 41133153
(3S)-1-(2,6-dimethylphenyl)-N-(2-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056489
(3S)-1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1233393
1-(3-chloro-2-methylphenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2932312
(3R)-N-(2,5-dichlorophenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9056464
(3S)-N-(3-chloro-2-methylphenyl)-1-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9005208
(3S)-N-(3-chloro-2-methylphenyl)-1-(3-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40977091
N-(4-chloro-2-methoxy-5-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113186284
(3S)-N-(3-chloro-2-methylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 30845832
N-(3-chloro-2-methylphenyl)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42939717
1-(3-chlorophenyl)-N-(2,3-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46585581
N-(3-chloro-2-methylphenyl)-1-(4-cyanophenyl)-5-oxopyrrolidine-3-carboxamide
CID 113192015

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide (CID 84916553) is N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is Cc1cccc(C)c1N1CC(C(=O)Nc2cccc(Cl)c2C)CC1=O.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is FCJFPUOKWPYJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O2/c1-12-6-4-7-13(2)19(12)23-11-15(10-18(23)24)20(25)22-17-9-5-8-16(21)14(17)3/h4-9,15H,10-11H2,1-3H3,(H,22,25).
What are the key properties of N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide?
N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 356.85 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-1-(2,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 84916553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).