5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide

C20H21ClN2O5 — CID 7255711

IUPAC5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)cc1OC
InChIInChI=1S/C20H21ClN2O5/c1-26-16-6-4-12(21)8-15(16)20(25)22-13-9-19(24)23(11-13)14-5-7-17(27-2)18(10-14)28-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,25)/t13-/m0/s1
InChIKeySEYRWXLBTHWODF-ZDUSSCGKSA-N
MW404.85 g/mol
LogP2.90
Rot. Bonds6

About 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide

5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide (PubChem CID 7255711) has the molecular formula C20H21ClN2O5 and a molecular weight of 404.85 g/mol. Its IUPAC name is 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide.

Molecular Properties

Compound Name5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
PubChem CID7255711
Molecular FormulaC20H21ClN2O5
Molecular Weight404.85 g/mol
Exact Mass404.11
IUPAC Name5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)cc1OC
InChIInChI=1S/C20H21ClN2O5/c1-26-16-6-4-12(21)8-15(16)20(25)22-13-9-19(24)23(11-13)14-5-7-17(27-2)18(10-14)28-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,25)/t13-/m0/s1
InChIKeySEYRWXLBTHWODF-ZDUSSCGKSA-N
XLogP2.90
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.85
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide 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

5-chloro-2-methoxy-N-[(3R)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548591
5-chloro-N-[(3S)-1-(4-ethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7549059
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7564303
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 7255751
2-(4-chlorophenoxy)-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7564324
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
N-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 16822138
3-chloro-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971326
3,4-dimethoxy-N-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 18573314
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-(trifluoromethyl)benzamide
CID 43971351

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The IUPAC name of 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide (CID 7255711) is 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide.
What is the SMILES notation for 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The canonical SMILES for 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide is COc1ccc(N2C[C@@H](NC(=O)c3cc(Cl)ccc3OC)CC2=O)cc1OC.
What is the InChIKey of 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
The InChIKey is SEYRWXLBTHWODF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C20H21ClN2O5/c1-26-16-6-4-12(21)8-15(16)20(25)22-13-9-19(24)23(11-13)14-5-7-17(27-2)18(10-14)28-3/h4-8,10,13H,9,11H2,1-3H3,(H,22,25)/t13-/m0/s1.
What are the key properties of 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide?
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide has a molecular weight of 404.85 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide is sourced from PubChem (CID 7255711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).