2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

C25H19Cl4N3O3 — CID 4918942

IUPAC2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCCC2=O)c(NC(=O)c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl4N3O3/c1-13-9-22(32-8-2-3-23(32)33)21(31-25(35)17-7-5-15(27)11-19(17)29)12-20(13)30-24(34)16-6-4-14(26)10-18(16)28/h4-7,9-12H,2-3,8H2,1H3,(H,30,34)(H,31,35)
InChIKeyNFLYGYFJRIJISV-UHFFFAOYSA-N
MW551.26 g/mol
LogP7.24
Rot. Bonds5

About 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide

2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (PubChem CID 4918942) has the molecular formula C25H19Cl4N3O3 and a molecular weight of 551.26 g/mol. Its IUPAC name is 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
PubChem CID4918942
Molecular FormulaC25H19Cl4N3O3
Molecular Weight551.26 g/mol
Exact Mass549.02
IUPAC Name2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
SMILESCc1cc(N2CCCC2=O)c(NC(=O)c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(Cl)cc1Cl
InChIInChI=1S/C25H19Cl4N3O3/c1-13-9-22(32-8-2-3-23(32)33)21(31-25(35)17-7-5-15(27)11-19(17)29)12-20(13)30-24(34)16-6-4-14(26)10-18(16)28/h4-7,9-12H,2-3,8H2,1H3,(H,30,34)(H,31,35)
InChIKeyNFLYGYFJRIJISV-UHFFFAOYSA-N
XLogP7.24
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.26
LogP ≤ 57.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686691
2,5-dichloro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 26709772
4-chloro-2-fluoro-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17499343
2,4-dichloro-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]benzamide
CID 7687863
3-[[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N,2-dimethylbenzamide
CID 55677245
N'-[4-chloro-2-(2-oxopyrrolidin-1-yl)benzoyl]-2,4-dimethylbenzohydrazide
CID 9084885
5-chloro-2-methoxy-N-[2-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 17488699
N-(2-amino-4-methyl-5-piperidin-1-ylphenyl)-2,4-dichlorobenzamide
CID 91684113
2-chloro-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-4-nitrobenzamide
CID 7686600
5-chloro-2-methoxy-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 7686947
2,4-dichloro-N-(4-hydroxy-2-methylphenyl)benzamide
CID 849254
5-chloro-2-(2-oxopyrrolidin-1-yl)benzoic acid
CID 16772914

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide (CID 4918942) is 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is Cc1cc(N2CCCC2=O)c(NC(=O)c2ccc(Cl)cc2Cl)cc1NC(=O)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
The InChIKey is NFLYGYFJRIJISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19Cl4N3O3/c1-13-9-22(32-8-2-3-23(32)33)21(31-25(35)17-7-5-15(27)11-19(17)29)12-20(13)30-24(34)16-6-4-14(26)10-18(16)28/h4-7,9-12H,2-3,8H2,1H3,(H,30,34)(H,31,35).
What are the key properties of 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide?
2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide has a molecular weight of 551.26 g/mol, XLogP of 7.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[5-[(2,4-dichlorobenzoyl)amino]-2-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]benzamide is sourced from PubChem (CID 4918942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).