4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid

C15H9ClN2O3 — CID 135476347

IUPAC4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid
SMILESO=C1Nc2c(Cl)cccc2/C1=N/c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H9ClN2O3/c16-11-3-1-2-10-12(11)18-14(19)13(10)17-9-6-4-8(5-7-9)15(20)21/h1-7H,(H,20,21)(H,17,18,19)
InChIKeySHTOFORONMGWRU-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.11
Rot. Bonds2

About 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid

4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid (PubChem CID 135476347) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid.

Molecular Properties

Compound Name4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid
PubChem CID135476347
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid
SMILESO=C1Nc2c(Cl)cccc2/C1=N/c1ccc(C(=O)O)cc1
InChIInChI=1S/C15H9ClN2O3/c16-11-3-1-2-10-12(11)18-14(19)13(10)17-9-6-4-8(5-7-9)15(20)21/h1-7H,(H,20,21)(H,17,18,19)
InChIKeySHTOFORONMGWRU-UHFFFAOYSA-N
XLogP3.11
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid?
The IUPAC name of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid (CID 135476347) is 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid.
What is the SMILES notation for 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid?
The canonical SMILES for 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid is O=C1Nc2c(Cl)cccc2/C1=N/c1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid?
The InChIKey is SHTOFORONMGWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-11-3-1-2-10-12(11)18-14(19)13(10)17-9-6-4-8(5-7-9)15(20)21/h1-7H,(H,20,21)(H,17,18,19).
What are the key properties of 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid?
4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid has a molecular weight of 300.70 g/mol, XLogP of 3.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(7-chloro-2-oxo-1H-indol-3-ylidene)amino]benzoic acid is sourced from PubChem (CID 135476347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).