N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide

C35H24N2O7 — CID 163236880

IUPACN-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
SMILESCc1ccccc1NC(=O)C1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)C(C(=O)Nc3ccccc3C)C4=O)cc2C1=O
InChIInChI=1S/C35H24N2O7/c1-17-7-3-5-9-25(17)36-34(43)27-30(39)21-13-11-19(15-23(21)32(27)41)29(38)20-12-14-22-24(16-20)33(42)28(31(22)40)35(44)37-26-10-6-4-8-18(26)2/h3-16,27-28H,1-2H3,(H,36,43)(H,37,44)
InChIKeyLFUJAKVONJVHDG-UHFFFAOYSA-N
MW584.58 g/mol
LogP4.80
Rot. Bonds6

About N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide

N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide (PubChem CID 163236880) has the molecular formula C35H24N2O7 and a molecular weight of 584.58 g/mol. Its IUPAC name is N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
PubChem CID163236880
Molecular FormulaC35H24N2O7
Molecular Weight584.58 g/mol
Exact Mass584.16
IUPAC NameN-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide
SMILESCc1ccccc1NC(=O)C1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)C(C(=O)Nc3ccccc3C)C4=O)cc2C1=O
InChIInChI=1S/C35H24N2O7/c1-17-7-3-5-9-25(17)36-34(43)27-30(39)21-13-11-19(15-23(21)32(27)41)29(38)20-12-14-22-24(16-20)33(42)28(31(22)40)35(44)37-26-10-6-4-8-18(26)2/h3-16,27-28H,1-2H3,(H,36,43)(H,37,44)
InChIKeyLFUJAKVONJVHDG-UHFFFAOYSA-N
XLogP4.80
TPSA143.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500584.58
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
The IUPAC name of N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide (CID 163236880) is N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide.
What is the SMILES notation for N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
The canonical SMILES for N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide is Cc1ccccc1NC(=O)C1C(=O)c2ccc(C(=O)c3ccc4c(c3)C(=O)C(C(=O)Nc3ccccc3C)C4=O)cc2C1=O.
What is the InChIKey of N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
The InChIKey is LFUJAKVONJVHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H24N2O7/c1-17-7-3-5-9-25(17)36-34(43)27-30(39)21-13-11-19(15-23(21)32(27)41)29(38)20-12-14-22-24(16-20)33(42)28(31(22)40)35(44)37-26-10-6-4-8-18(26)2/h3-16,27-28H,1-2H3,(H,36,43)(H,37,44).
What are the key properties of N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide?
N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide has a molecular weight of 584.58 g/mol, XLogP of 4.80, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-5-[2-[(2-methylphenyl)carbamoyl]-1,3-dioxoindene-5-carbonyl]-1,3-dioxoindene-2-carboxamide is sourced from PubChem (CID 163236880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).