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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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).