3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C20H21ClN2O3 — CID 55509816

IUPAC3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2N2CCCC2=O)cc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-26-18-10-8-14(13-15(18)21)9-11-19(24)22-16-5-2-3-6-17(16)23-12-4-7-20(23)25/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H,22,24)
InChIKeyUPCGYISWROAASJ-UHFFFAOYSA-N
MW372.85 g/mol
LogP4.05
Rot. Bonds6

About 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide

3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 55509816) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID55509816
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCOc1ccc(CCC(=O)Nc2ccccc2N2CCCC2=O)cc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-26-18-10-8-14(13-15(18)21)9-11-19(24)22-16-5-2-3-6-17(16)23-12-4-7-20(23)25/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H,22,24)
InChIKeyUPCGYISWROAASJ-UHFFFAOYSA-N
XLogP4.05
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[2-oxo-2-[2-(2-oxopyrrolidin-1-yl)anilino]ethyl] 3-(3-chloro-4-methylphenyl)propanoate
CID 42124134
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 18166634
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070
3-(3-chloro-4-methylphenyl)-N-(2-methoxyphenyl)propanamide
CID 18124058
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 26955686
N-(5-chloro-2,4-dimethoxyphenyl)-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 42059549
methyl 3-[3-(3-chloro-4-methoxyphenyl)propanoylamino]-2-hydroxybenzoate
CID 56577397
3-(2-ethoxyphenoxy)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 26955412
3-ethoxy-4-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17497049
N-[2-(2-oxopyrrolidin-1-yl)phenyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 26955403
5-bromo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]pentanamide
CID 107909776

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 55509816) is 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide is COc1ccc(CCC(=O)Nc2ccccc2N2CCCC2=O)cc1Cl.
What is the InChIKey of 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is UPCGYISWROAASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-26-18-10-8-14(13-15(18)21)9-11-19(24)22-16-5-2-3-6-17(16)23-12-4-7-20(23)25/h2-3,5-6,8,10,13H,4,7,9,11-12H2,1H3,(H,22,24).
What are the key properties of 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 372.85 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-methoxyphenyl)-N-[2-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 55509816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).