4-(1-phenylethylideneamino)benzoic acid

C15H13NO2 — CID 13263369

IUPAC4-(1-phenylethylideneamino)benzoic acid
SMILESC/C(=N\c1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(8-10-14)15(17)18/h2-10H,1H3,(H,17,18)/b16-11+
InChIKeyCKGANDXFXSOBQN-LFIBNONCSA-N
MW239.27 g/mol
LogP3.53
Rot. Bonds3

About 4-(1-phenylethylideneamino)benzoic acid

4-(1-phenylethylideneamino)benzoic acid (PubChem CID 13263369) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 4-(1-phenylethylideneamino)benzoic acid.

Molecular Properties

Compound Name4-(1-phenylethylideneamino)benzoic acid
PubChem CID13263369
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name4-(1-phenylethylideneamino)benzoic acid
SMILESC/C(=N\c1ccc(C(=O)O)cc1)c1ccccc1
InChIInChI=1S/C15H13NO2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(8-10-14)15(17)18/h2-10H,1H3,(H,17,18)/b16-11+
InChIKeyCKGANDXFXSOBQN-LFIBNONCSA-N
XLogP3.53
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Aminobenzoic Acid
CID 978
4-Guanidinobenzoic Acid
CID 159772
4-Phenylazobenzoic acid
CID 15276
4-(benzylideneamino)benzoic Acid
CID 687887
N-(4-Carboxyphenyl)salicylideneimine
CID 97114
4-Isothiocyanatobenzoic acid
CID 242946
4-Azidobenzoic acid
CID 3034184
Benzoic acid, 4-[2-(4-aminophenyl)diazenyl]-
CID 81343
4-(4-Hydroxybenzylideneamino)benzoic acid
CID 2306645
p-(p-Phenylphenacylideneamino)benzoic acid
CID 19383
4-(3,3-Dimethyl-1-triazen-1-yl)benzoic acid
CID 23606
4,4'-Azobisbenzoic acid
CID 11471

Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethylideneamino)benzoic acid?
The IUPAC name of 4-(1-phenylethylideneamino)benzoic acid (CID 13263369) is 4-(1-phenylethylideneamino)benzoic acid.
What is the SMILES notation for 4-(1-phenylethylideneamino)benzoic acid?
The canonical SMILES for 4-(1-phenylethylideneamino)benzoic acid is C/C(=N\c1ccc(C(=O)O)cc1)c1ccccc1.
What is the InChIKey of 4-(1-phenylethylideneamino)benzoic acid?
The InChIKey is CKGANDXFXSOBQN-LFIBNONCSA-N. The full InChI is InChI=1S/C15H13NO2/c1-11(12-5-3-2-4-6-12)16-14-9-7-13(8-10-14)15(17)18/h2-10H,1H3,(H,17,18)/b16-11+.
What are the key properties of 4-(1-phenylethylideneamino)benzoic acid?
4-(1-phenylethylideneamino)benzoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethylideneamino)benzoic acid is sourced from PubChem (CID 13263369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).