2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide

C19H15ClN2O3 — CID 616498

IUPAC2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C
InChIInChI=1S/C19H15ClN2O3/c1-11-3-4-13(9-12(11)2)21-19(25)15-10-14(5-6-16(15)20)22-17(23)7-8-18(22)24/h3-10H,1-2H3,(H,21,25)
InChIKeyQEDKUJMGQFOTIU-UHFFFAOYSA-N
MW354.79 g/mol
LogP3.64
Rot. Bonds3

About 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide

2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide (PubChem CID 616498) has the molecular formula C19H15ClN2O3 and a molecular weight of 354.79 g/mol. Its IUPAC name is 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide
PubChem CID616498
Molecular FormulaC19H15ClN2O3
Molecular Weight354.79 g/mol
Exact Mass354.08
IUPAC Name2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide
SMILESCc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C
InChIInChI=1S/C19H15ClN2O3/c1-11-3-4-13(9-12(11)2)21-19(25)15-10-14(5-6-16(15)20)22-17(23)7-8-18(22)24/h3-10H,1-2H3,(H,21,25)
InChIKeyQEDKUJMGQFOTIU-UHFFFAOYSA-N
XLogP3.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.79
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide?
The IUPAC name of 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide (CID 616498) is 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide.
What is the SMILES notation for 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide?
The canonical SMILES for 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide is Cc1ccc(NC(=O)c2cc(N3C(=O)C=CC3=O)ccc2Cl)cc1C.
What is the InChIKey of 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide?
The InChIKey is QEDKUJMGQFOTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN2O3/c1-11-3-4-13(9-12(11)2)21-19(25)15-10-14(5-6-16(15)20)22-17(23)7-8-18(22)24/h3-10H,1-2H3,(H,21,25).
What are the key properties of 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide?
2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide has a molecular weight of 354.79 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,4-dimethylphenyl)-5-(2,5-dioxopyrrol-1-yl)benzamide is sourced from PubChem (CID 616498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).