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

C19H19ClN2O4 — CID 7564303

IUPAC3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3cccc(Cl)c3)CC2=O)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-25-16-7-6-15(10-17(16)26-2)22-11-14(9-18(22)23)21-19(24)12-4-3-5-13(20)8-12/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyNYHAQSVYLIKEOZ-AWEZNQCLSA-N
MW374.82 g/mol
LogP2.89
Rot. Bonds5

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

3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (PubChem CID 7564303) has the molecular formula C19H19ClN2O4 and a molecular weight of 374.82 g/mol. Its IUPAC name is 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
PubChem CID7564303
Molecular FormulaC19H19ClN2O4
Molecular Weight374.82 g/mol
Exact Mass374.10
IUPAC Name3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
SMILESCOc1ccc(N2C[C@@H](NC(=O)c3cccc(Cl)c3)CC2=O)cc1OC
InChIInChI=1S/C19H19ClN2O4/c1-25-16-7-6-15(10-17(16)26-2)22-11-14(9-18(22)23)21-19(24)12-4-3-5-13(20)8-12/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1
InChIKeyNYHAQSVYLIKEOZ-AWEZNQCLSA-N
XLogP2.89
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.82
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7548145
5-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methoxybenzamide
CID 7255711
N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3,4-dimethylbenzamide
CID 7564250
3-chloro-N-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7547239
3-chloro-N-(5-oxo-1-phenylpyrrolidin-3-yl)benzamide
CID 16822090
3-chloro-N-[(3R)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 7563634
4-bromo-N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 43971347
2-chloro-N-[(3R)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-6-fluorobenzamide
CID 7255708
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
4-chloro-N-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide
CID 16822178
N-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-4-nitrobenzamide
CID 16822374

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The IUPAC name of 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide (CID 7564303) is 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide.
What is the SMILES notation for 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The canonical SMILES for 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is COc1ccc(N2C[C@@H](NC(=O)c3cccc(Cl)c3)CC2=O)cc1OC.
What is the InChIKey of 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
The InChIKey is NYHAQSVYLIKEOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19ClN2O4/c1-25-16-7-6-15(10-17(16)26-2)22-11-14(9-18(22)23)21-19(24)12-4-3-5-13(20)8-12/h3-8,10,14H,9,11H2,1-2H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide?
3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide has a molecular weight of 374.82 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S)-1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]benzamide is sourced from PubChem (CID 7564303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).