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

C18H13ClN2O3 — CID 885550

IUPAC4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1
InChIInChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)
InChIKeyACSISLCYYDRVIM-UHFFFAOYSA-N
MW340.77 g/mol
LogP3.33
Rot. Bonds3

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

4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide (PubChem CID 885550) has the molecular formula C18H13ClN2O3 and a molecular weight of 340.77 g/mol. Its IUPAC name is 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide
PubChem CID885550
Molecular FormulaC18H13ClN2O3
Molecular Weight340.77 g/mol
Exact Mass340.06
IUPAC Name4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1
InChIInChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24)
InChIKeyACSISLCYYDRVIM-UHFFFAOYSA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.77
LogP ≤ 53.33
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 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide?
The IUPAC name of 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide (CID 885550) is 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide?
The canonical SMILES for 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide is Cc1ccc(NC(=O)c2ccc(Cl)c(N3C(=O)C=CC3=O)c2)cc1.
What is the InChIKey of 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide?
The InChIKey is ACSISLCYYDRVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClN2O3/c1-11-2-5-13(6-3-11)20-18(24)12-4-7-14(19)15(10-12)21-16(22)8-9-17(21)23/h2-10H,1H3,(H,20,24).
What are the key properties of 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide?
4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide has a molecular weight of 340.77 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2,5-dioxopyrrol-1-yl)-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 885550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).