4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

C20H20ClN3O4 — CID 38329748

IUPAC4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1
InChIInChI=1S/C20H20ClN3O4/c1-28-12-18(25)22-14-5-7-15(8-6-14)23-20(27)16-9-4-13(21)11-17(16)24-10-2-3-19(24)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27)
InChIKeyIFYZXTFOXTZVDU-UHFFFAOYSA-N
MW401.85 g/mol
LogP3.30
Rot. Bonds6

About 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide

4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 38329748) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound Name4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID38329748
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Name4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
SMILESCOCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1
InChIInChI=1S/C20H20ClN3O4/c1-28-12-18(25)22-14-5-7-15(8-6-14)23-20(27)16-9-4-13(21)11-17(16)24-10-2-3-19(24)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27)
InChIKeyIFYZXTFOXTZVDU-UHFFFAOYSA-N
XLogP3.30
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
4-chloro-N-[4-(4-ethylpiperazin-4-ium-1-yl)phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 9291780
4-chloro-N-[[2-(methoxymethyl)phenyl]methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 32606773
4-chloro-N-[(4-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)benzamide
CID 26690017
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
2-(2,4-dichlorophenoxy)-N-[3-methoxy-4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 42525030
[2-[[2-(3,4-difluoroanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-chloro-2-(2-oxopyrrolidin-1-yl)benzoate
CID 32553124
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-piperidin-1-ylbenzamide
CID 9083960
4-chloro-N-(3-methyl-4-pyridin-3-yloxyphenyl)-2-(2-oxopyrrolidin-1-yl)benzamide
CID 60581284
2-chloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686645
4-chloro-2-(2-oxopyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)benzamide
CID 29371044

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide (CID 38329748) is 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is COCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2N2CCCC2=O)cc1.
What is the InChIKey of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is IFYZXTFOXTZVDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-28-12-18(25)22-14-5-7-15(8-6-14)23-20(27)16-9-4-13(21)11-17(16)24-10-2-3-19(24)26/h4-9,11H,2-3,10,12H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide?
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 401.85 g/mol, XLogP of 3.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-2-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 38329748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).