sodium;2-anilinobenzoic acid;formate

C14H12NNaO4 — CID 174516679

IUPACsodium;2-anilinobenzoic acid;formate
SMILESO=C(O)c1ccccc1Nc1ccccc1.O=C[O-].[Na+]
InChIInChI=1S/C13H11NO2.CH2O2.Na/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;2-1-3;/h1-9,14H,(H,15,16);1H,(H,2,3);/q;;+1/p-1
InChIKeyZGXZXFNFHLPMMD-UHFFFAOYSA-M
MW281.24 g/mol
LogP-1.50
Rot. Bonds3

About sodium;2-anilinobenzoic acid;formate

sodium;2-anilinobenzoic acid;formate (PubChem CID 174516679) has the molecular formula C14H12NNaO4 and a molecular weight of 281.24 g/mol. Its IUPAC name is sodium;2-anilinobenzoic acid;formate.

Molecular Properties

Compound Namesodium;2-anilinobenzoic acid;formate
PubChem CID174516679
Molecular FormulaC14H12NNaO4
Molecular Weight281.24 g/mol
Exact Mass281.07
IUPAC Namesodium;2-anilinobenzoic acid;formate
SMILESO=C(O)c1ccccc1Nc1ccccc1.O=C[O-].[Na+]
InChIInChI=1S/C13H11NO2.CH2O2.Na/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;2-1-3;/h1-9,14H,(H,15,16);1H,(H,2,3);/q;;+1/p-1
InChIKeyZGXZXFNFHLPMMD-UHFFFAOYSA-M
XLogP-1.50
TPSA89.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.24
LogP ≤ 5-1.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-anilinobenzoic acid;N-phenylaniline
CID 68732454
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-(4-hydroxyanilino)benzoic acid
CID 11593806
bis(2-anilinophenyl)methanone
CID 141301141
2-(2-formylanilino)benzoic acid
CID 54432432
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
2-(4-ethoxyanilino)benzoic acid
CID 15247418
2-[2-(2-carboxyanilino)-4,5-difluoroanilino]benzoic acid
CID 10385313
2-anilinobenzoic acid;4-chloro-2-iodobenzoic acid
CID 70195825
2-[4-(dimethylcarbamoyl)anilino]benzoic acid
CID 51066170
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419

Frequently Asked Questions

What is the IUPAC name of sodium;2-anilinobenzoic acid;formate?
The IUPAC name of sodium;2-anilinobenzoic acid;formate (CID 174516679) is sodium;2-anilinobenzoic acid;formate.
What is the SMILES notation for sodium;2-anilinobenzoic acid;formate?
The canonical SMILES for sodium;2-anilinobenzoic acid;formate is O=C(O)c1ccccc1Nc1ccccc1.O=C[O-].[Na+].
What is the InChIKey of sodium;2-anilinobenzoic acid;formate?
The InChIKey is ZGXZXFNFHLPMMD-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H11NO2.CH2O2.Na/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;2-1-3;/h1-9,14H,(H,15,16);1H,(H,2,3);/q;;+1/p-1.
What are the key properties of sodium;2-anilinobenzoic acid;formate?
sodium;2-anilinobenzoic acid;formate has a molecular weight of 281.24 g/mol, XLogP of -1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;2-anilinobenzoic acid;formate is sourced from PubChem (CID 174516679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).