[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate

C22H14N2O4 — CID 5456970

IUPAC[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate
SMILESO=C(O/N=C1/C(=O)N(C(=O)c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C22H14N2O4/c25-20(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)19(21(24)26)23-28-22(27)16-11-5-2-6-12-16/h1-14H/b23-19+
InChIKeyGKJDDBVXFMXUEG-FCDQGJHFSA-N
MW370.36 g/mol
LogP3.43
Rot. Bonds3

About [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate

[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate (PubChem CID 5456970) has the molecular formula C22H14N2O4 and a molecular weight of 370.36 g/mol. Its IUPAC name is [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate.

Molecular Properties

Compound Name[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate
PubChem CID5456970
Molecular FormulaC22H14N2O4
Molecular Weight370.36 g/mol
Exact Mass370.10
IUPAC Name[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate
SMILESO=C(O/N=C1/C(=O)N(C(=O)c2ccccc2)c2ccccc21)c1ccccc1
InChIInChI=1S/C22H14N2O4/c25-20(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)19(21(24)26)23-28-22(27)16-11-5-2-6-12-16/h1-14H/b23-19+
InChIKeyGKJDDBVXFMXUEG-FCDQGJHFSA-N
XLogP3.43
TPSA76.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate
CID 1488571
[(11-carbamoyl-6H-benzo[b][1]benzazepin-5-ylidene)amino] benzoate
CID 57037687
[(2-oxo-1-phenylindol-3-ylidene)amino] 2-methylbenzoate
CID 1488576
(3Z)-1-acetyl-3-(benzhydrylidenehydrazinylidene)indol-2-one
CID 6904064
[(Z)-indeno[1,2-b]quinoxalin-11-ylideneamino] benzoate
CID 171978500
1-(4-chlorobenzoyl)indole-2,3-dione
CID 13040311
tert-butyl (NZ)-N-(1-acetyl-2-oxoindol-3-ylidene)carbamate
CID 138974953
[4-(7-azabicyclo[4.1.0]hepta-1,3,5-triene-7-carbonyl)phenyl]-(7-azabicyclo[4.1.0]hepta-1,3,5-trien-7-yl)methanone
CID 70257091
(2,3-dioxoindole-1-carbonyl) 2,3-dioxoindole-1-carboxylate
CID 86623508
benzo[b][1]benzazepin-11-yl(phenyl)methanone
CID 571066
[1-[(E)-(1-acetyl-2-oxoindol-3-ylidene)amino]oxy-3-(N-phenylanilino)propan-2-yl] acetate
CID 11202245
[(E)-[1-[(2,4-dichlorophenyl)methyl]-2-oxoindol-3-ylidene]amino] 2,6-dichlorobenzoate
CID 6165319

Frequently Asked Questions

What is the IUPAC name of [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate?
The IUPAC name of [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate (CID 5456970) is [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate.
What is the SMILES notation for [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate?
The canonical SMILES for [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate is O=C(O/N=C1/C(=O)N(C(=O)c2ccccc2)c2ccccc21)c1ccccc1.
What is the InChIKey of [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate?
The InChIKey is GKJDDBVXFMXUEG-FCDQGJHFSA-N. The full InChI is InChI=1S/C22H14N2O4/c25-20(15-9-3-1-4-10-15)24-18-14-8-7-13-17(18)19(21(24)26)23-28-22(27)16-11-5-2-6-12-16/h1-14H/b23-19+.
What are the key properties of [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate?
[(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate has a molecular weight of 370.36 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-(1-benzoyl-2-oxoindol-3-ylidene)amino] benzoate is sourced from PubChem (CID 5456970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).