5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide

C18H18ClN3O2 — CID 56787560

IUPAC5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide
SMILESCc1ccc(NC2CCN(c3ccccc3Cl)C2=O)cc1C(N)=O
InChIInChI=1S/C18H18ClN3O2/c1-11-6-7-12(10-13(11)17(20)23)21-15-8-9-22(18(15)24)16-5-3-2-4-14(16)19/h2-7,10,15,21H,8-9H2,1H3,(H2,20,23)
InChIKeyQGUKHHBQJVYLMV-UHFFFAOYSA-N
MW343.81 g/mol
LogP2.96
Rot. Bonds4

About 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide

5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide (PubChem CID 56787560) has the molecular formula C18H18ClN3O2 and a molecular weight of 343.81 g/mol. Its IUPAC name is 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide.

Molecular Properties

Compound Name5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide
PubChem CID56787560
Molecular FormulaC18H18ClN3O2
Molecular Weight343.81 g/mol
Exact Mass343.11
IUPAC Name5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide
SMILESCc1ccc(NC2CCN(c3ccccc3Cl)C2=O)cc1C(N)=O
InChIInChI=1S/C18H18ClN3O2/c1-11-6-7-12(10-13(11)17(20)23)21-15-8-9-22(18(15)24)16-5-3-2-4-14(16)19/h2-7,10,15,21H,8-9H2,1H3,(H2,20,23)
InChIKeyQGUKHHBQJVYLMV-UHFFFAOYSA-N
XLogP2.96
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.81
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[2-chloro-4-(1-oxo-2,3-dihydro-1H-isoindol-4-yl)phenyl]-1-(3-methylphenyl)urea
CID 5329906
(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
CID 9798466
N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-2-(cyclopropylamino)-2-phenylacetamide
CID 24863112
(3S,4R)-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46871820
rac-N-(7-chloro-1-oxo-1,2-dihydroisoquinolin-6-yl)-4-(4-chlorophenyl)pyrrolidine-3-carboxamide
CID 46890097
Cis-4-Amino-N-(7-Chloro-1-Oxo-1,2-Dihydroisoquinolin-6-Yl)cyclohexanecarboxamide
CID 49786965
3-[(4-chlorobenzoyl)amino]-N-[[2-(diethylaminomethyl)phenyl]methyl]benzamide
CID 155664124
2-Pyrrol4-[4-(2-chloro-phenyl)-piperazin-1-yl]-butylmorpho-isoindole-1,3-dione
CID 6425322
3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9819770
(R)-3-{2-[4-(3,4-Dimethyl-phenyl)-piperazin-1-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 9928335
Benzazepine derivative, 16
CID 44520889
(2R)-1-[1-(3-chlorophenyl)cyclopentanecarbonyl]-N-[4-(methylcarbamoyl)phenyl]pyrrolidine-2-carboxamide
CID 168298757

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide?
The IUPAC name of 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide (CID 56787560) is 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide.
What is the SMILES notation for 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide?
The canonical SMILES for 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide is Cc1ccc(NC2CCN(c3ccccc3Cl)C2=O)cc1C(N)=O.
What is the InChIKey of 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide?
The InChIKey is QGUKHHBQJVYLMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O2/c1-11-6-7-12(10-13(11)17(20)23)21-15-8-9-22(18(15)24)16-5-3-2-4-14(16)19/h2-7,10,15,21H,8-9H2,1H3,(H2,20,23).
What are the key properties of 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide?
5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide has a molecular weight of 343.81 g/mol, XLogP of 2.96, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methylbenzamide is sourced from PubChem (CID 56787560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).