4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide

C22H18N4O4 — CID 123176936

IUPAC4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)Nc2cccc3c2NC(=O)C3=Cc2ccc[nH]2)cc1
InChIInChI=1S/C22H18N4O4/c1-30-15-9-7-13(8-10-15)20(27)26-22(29)24-18-6-2-5-16-17(21(28)25-19(16)18)12-14-4-3-11-23-14/h2-12,23H,1H3,(H,25,28)(H2,24,26,27,29)
InChIKeyXDBJCRBXUIYEQZ-UHFFFAOYSA-N
MW402.41 g/mol
LogP3.48
Rot. Bonds4

About 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide

4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide (PubChem CID 123176936) has the molecular formula C22H18N4O4 and a molecular weight of 402.41 g/mol. Its IUPAC name is 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide
PubChem CID123176936
Molecular FormulaC22H18N4O4
Molecular Weight402.41 g/mol
Exact Mass402.13
IUPAC Name4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide
SMILESCOc1ccc(C(=O)NC(=O)Nc2cccc3c2NC(=O)C3=Cc2ccc[nH]2)cc1
InChIInChI=1S/C22H18N4O4/c1-30-15-9-7-13(8-10-15)20(27)26-22(29)24-18-6-2-5-16-17(21(28)25-19(16)18)12-14-4-3-11-23-14/h2-12,23H,1H3,(H,25,28)(H2,24,26,27,29)
InChIKeyXDBJCRBXUIYEQZ-UHFFFAOYSA-N
XLogP3.48
TPSA112.32 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.41
LogP ≤ 53.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[5-fluoro-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoyl]-4-methoxybenzamide
CID 140665482
4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]carbamoyl]benzamide
CID 140665474
4-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 136742500
N-[[3-[(3,5-dimethyl-4-phenyl-1H-pyrrol-2-yl)methylidene]-2-oxo-1H-indol-6-yl]carbamoyl]-4-methoxybenzamide
CID 140665503
1-N'-(4-methoxyphenyl)-1-N'-[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-6-yl]cyclopropane-1,1-dicarboxamide
CID 140665483
4-methoxy-N-[4-oxo-5-(1H-pyrrol-2-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
CID 4762735
methyl 5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxylate
CID 91334341
methyl N-(4-methoxybenzoyl)carbamate
CID 10420604
(4Z)-N-(2-methoxyethyl)-5-oxo-4-(1H-pyrrol-2-ylmethylidene)-6H-thieno[2,3-b]pyrrole-2-carboxamide
CID 22976079
[(3Z)-2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-5-yl] butanoate
CID 56932526
N-(2,3-dioxo-1H-indol-7-yl)acetamide
CID 131596537
4-methoxy-N-[(3-methyl-2-pyridinyl)carbamoyl]benzamide
CID 888500

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide?
The IUPAC name of 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide (CID 123176936) is 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide?
The canonical SMILES for 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide is COc1ccc(C(=O)NC(=O)Nc2cccc3c2NC(=O)C3=Cc2ccc[nH]2)cc1.
What is the InChIKey of 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide?
The InChIKey is XDBJCRBXUIYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O4/c1-30-15-9-7-13(8-10-15)20(27)26-22(29)24-18-6-2-5-16-17(21(28)25-19(16)18)12-14-4-3-11-23-14/h2-12,23H,1H3,(H,25,28)(H2,24,26,27,29).
What are the key properties of 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide?
4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide has a molecular weight of 402.41 g/mol, XLogP of 3.48, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[[2-oxo-3-(1H-pyrrol-2-ylmethylidene)-1H-indol-7-yl]carbamoyl]benzamide is sourced from PubChem (CID 123176936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).