sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate

C22H14NNaO3 — CID 56842664

IUPACsodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate
SMILESO=C([O-])c1ccccc1NC1=C(c2ccccc2)C(=O)c2ccccc21.[Na+]
InChIInChI=1S/C22H15NO3.Na/c24-21-16-11-5-4-10-15(16)20(19(21)14-8-2-1-3-9-14)23-18-13-7-6-12-17(18)22(25)26;/h1-13,23H,(H,25,26);/q;+1/p-1
InChIKeyBLUGLDODPBNGRT-UHFFFAOYSA-M
MW363.35 g/mol
LogP0.23
Rot. Bonds4

About sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate

sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate (PubChem CID 56842664) has the molecular formula C22H14NNaO3 and a molecular weight of 363.35 g/mol. Its IUPAC name is sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate.

Molecular Properties

Compound Namesodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate
PubChem CID56842664
Molecular FormulaC22H14NNaO3
Molecular Weight363.35 g/mol
Exact Mass363.09
IUPAC Namesodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate
SMILESO=C([O-])c1ccccc1NC1=C(c2ccccc2)C(=O)c2ccccc21.[Na+]
InChIInChI=1S/C22H15NO3.Na/c24-21-16-11-5-4-10-15(16)20(19(21)14-8-2-1-3-9-14)23-18-13-7-6-12-17(18)22(25)26;/h1-13,23H,(H,25,26);/q;+1/p-1
InChIKeyBLUGLDODPBNGRT-UHFFFAOYSA-M
XLogP0.23
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.35
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-bromoanilino)-2-phenylinden-1-one
CID 5224479
3-(2,4-dimethoxyanilino)-2-phenylinden-1-one
CID 22432990
dilithium;3-phenylphthalate
CID 130387255
sodium 2-acetamidobenzoate
CID 23702638
2-phenyl-3-(3,4,5-trimethoxyanilino)inden-1-one
CID 22432988
disodium;4,5-diphenylphthalate
CID 134868371
9-oxofluorene-1-carboxylate
CID 6928439
2-(2,6-difluoroanilino)benzoate
CID 163199732
2-[4-(1-oxo-3-phenylinden-2-yl)phenyl]-3-phenylinden-1-one
CID 56589911
azulene-1,3-dicarboxylate
CID 140764257
barium(2+);3-phenylphthalate
CID 141391844
disodium;hydron;phthalate
CID 23089010

Frequently Asked Questions

What is the IUPAC name of sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate?
The IUPAC name of sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate (CID 56842664) is sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate.
What is the SMILES notation for sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate?
The canonical SMILES for sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate is O=C([O-])c1ccccc1NC1=C(c2ccccc2)C(=O)c2ccccc21.[Na+].
What is the InChIKey of sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate?
The InChIKey is BLUGLDODPBNGRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C22H15NO3.Na/c24-21-16-11-5-4-10-15(16)20(19(21)14-8-2-1-3-9-14)23-18-13-7-6-12-17(18)22(25)26;/h1-13,23H,(H,25,26);/q;+1/p-1.
What are the key properties of sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate?
sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate has a molecular weight of 363.35 g/mol, XLogP of 0.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-[(3-oxo-2-phenylinden-1-yl)amino]benzoate is sourced from PubChem (CID 56842664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).