[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate

C21H13ClN2O3 — CID 1488571

IUPAC[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate
SMILESO=C(ON=C1C(=O)N(c2ccccc2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClN2O3/c22-15-12-10-14(11-13-15)21(26)27-23-19-17-8-4-5-9-18(17)24(20(19)25)16-6-2-1-3-7-16/h1-13H
InChIKeyFGAWOQVKYFCVJW-UHFFFAOYSA-N
MW376.80 g/mol
LogP4.58
Rot. Bonds3

About [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate

[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate (PubChem CID 1488571) has the molecular formula C21H13ClN2O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate.

Molecular Properties

Compound Name[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate
PubChem CID1488571
Molecular FormulaC21H13ClN2O3
Molecular Weight376.80 g/mol
Exact Mass376.06
IUPAC Name[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate
SMILESO=C(ON=C1C(=O)N(c2ccccc2)c2ccccc21)c1ccc(Cl)cc1
InChIInChI=1S/C21H13ClN2O3/c22-15-12-10-14(11-13-15)21(26)27-23-19-17-8-4-5-9-18(17)24(20(19)25)16-6-2-1-3-7-16/h1-13H
InChIKeyFGAWOQVKYFCVJW-UHFFFAOYSA-N
XLogP4.58
TPSA58.97 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}

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Frequently Asked Questions

What is the IUPAC name of [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate?
The IUPAC name of [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate (CID 1488571) is [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate.
What is the SMILES notation for [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate?
The canonical SMILES for [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate is O=C(ON=C1C(=O)N(c2ccccc2)c2ccccc21)c1ccc(Cl)cc1.
What is the InChIKey of [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate?
The InChIKey is FGAWOQVKYFCVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN2O3/c22-15-12-10-14(11-13-15)21(26)27-23-19-17-8-4-5-9-18(17)24(20(19)25)16-6-2-1-3-7-16/h1-13H.
What are the key properties of [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate?
[(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate has a molecular weight of 376.80 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2-oxo-1-phenylindol-3-ylidene)amino] 4-chlorobenzoate is sourced from PubChem (CID 1488571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).