2-(2-phenylethenylamino)benzoic acid

C15H13NO2 — CID 69497392

IUPAC2-(2-phenylethenylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC=Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-11,16H,(H,17,18)
InChIKeyWISGUBFKZHRMMP-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.47
Rot. Bonds4

About 2-(2-phenylethenylamino)benzoic acid

2-(2-phenylethenylamino)benzoic acid (PubChem CID 69497392) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-phenylethenylamino)benzoic acid.

Molecular Properties

Compound Name2-(2-phenylethenylamino)benzoic acid
PubChem CID69497392
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name2-(2-phenylethenylamino)benzoic acid
SMILESO=C(O)c1ccccc1NC=Cc1ccccc1
InChIInChI=1S/C15H13NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-11,16H,(H,17,18)
InChIKeyWISGUBFKZHRMMP-UHFFFAOYSA-N
XLogP3.47
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[(Z)-2-nitroethenyl]amino]benzoic acid
CID 5290686
N-(1-hydroxybutan-2-yl)-2-[[(E)-2-phenylethenyl]amino]benzamide
CID 70073340
2-oxo-4-(2-phenylethenylamino)-1H-pyridine-3-carboxylic acid
CID 174602842
2-phenylethenylcarbamic acid
CID 151881054
2-[2-[1-(4-phenylphenyl)tetrazol-5-yl]ethenylamino]benzoic acid
CID 74520995
CID 66717184
CID 66717184
2-(2-phenylethenoxy)benzoic acid
CID 67839973
2-[3-(4-methylphenyl)prop-2-enoylamino]benzoic acid
CID 54292145
2-hydrazinylbenzoic acid;hydron;chloride
CID 51064113
2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
N-(2-phenylethenyl)acetamide
CID 54032077

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethenylamino)benzoic acid?
The IUPAC name of 2-(2-phenylethenylamino)benzoic acid (CID 69497392) is 2-(2-phenylethenylamino)benzoic acid.
What is the SMILES notation for 2-(2-phenylethenylamino)benzoic acid?
The canonical SMILES for 2-(2-phenylethenylamino)benzoic acid is O=C(O)c1ccccc1NC=Cc1ccccc1.
What is the InChIKey of 2-(2-phenylethenylamino)benzoic acid?
The InChIKey is WISGUBFKZHRMMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c17-15(18)13-8-4-5-9-14(13)16-11-10-12-6-2-1-3-7-12/h1-11,16H,(H,17,18).
What are the key properties of 2-(2-phenylethenylamino)benzoic acid?
2-(2-phenylethenylamino)benzoic acid has a molecular weight of 239.27 g/mol, XLogP of 3.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethenylamino)benzoic acid is sourced from PubChem (CID 69497392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).