2-anilinobenzoic acid;N-phenylaniline

C25H22N2O2 — CID 68732454

IUPAC2-anilinobenzoic acid;N-phenylaniline
SMILESO=C(O)c1ccccc1Nc1ccccc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H11NO2.C12H11N/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,14H,(H,15,16);1-10,13H
InChIKeyHFUKXDYVILGQBQ-UHFFFAOYSA-N
MW382.46 g/mol
LogP6.56
Rot. Bonds5

About 2-anilinobenzoic acid;N-phenylaniline

2-anilinobenzoic acid;N-phenylaniline (PubChem CID 68732454) has the molecular formula C25H22N2O2 and a molecular weight of 382.46 g/mol. Its IUPAC name is 2-anilinobenzoic acid;N-phenylaniline.

Molecular Properties

Compound Name2-anilinobenzoic acid;N-phenylaniline
PubChem CID68732454
Molecular FormulaC25H22N2O2
Molecular Weight382.46 g/mol
Exact Mass382.17
IUPAC Name2-anilinobenzoic acid;N-phenylaniline
SMILESO=C(O)c1ccccc1Nc1ccccc1.c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C13H11NO2.C12H11N/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,14H,(H,15,16);1-10,13H
InChIKeyHFUKXDYVILGQBQ-UHFFFAOYSA-N
XLogP6.56
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.46
LogP ≤ 56.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-carboxyanilino)anilino]benzoic acid
CID 21179580
sodium;2-anilinobenzoic acid;formate
CID 174516679
2-(4-hydroxyanilino)benzoic acid
CID 11593806
bis(2-anilinophenyl)methanone
CID 141301141
2-(2-carboxyanilino)benzoic acid;methylsulfanylmethane
CID 144550401
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
2-[4-[2-carboxy-2-[(1-carboxy-2-phenylethyl)amino]ethyl]anilino]benzoic acid
CID 53462415
ethane;2-(2-methoxycarbonylanilino)benzoic acid
CID 54418297
2-(2-formylanilino)benzoic acid
CID 54432432
2-[4,5-dicarbamoyl-2-(2-carboxyanilino)anilino]benzoic acid
CID 22076419

Frequently Asked Questions

What is the IUPAC name of 2-anilinobenzoic acid;N-phenylaniline?
The IUPAC name of 2-anilinobenzoic acid;N-phenylaniline (CID 68732454) is 2-anilinobenzoic acid;N-phenylaniline.
What is the SMILES notation for 2-anilinobenzoic acid;N-phenylaniline?
The canonical SMILES for 2-anilinobenzoic acid;N-phenylaniline is O=C(O)c1ccccc1Nc1ccccc1.c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-anilinobenzoic acid;N-phenylaniline?
The InChIKey is HFUKXDYVILGQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11NO2.C12H11N/c15-13(16)11-8-4-5-9-12(11)14-10-6-2-1-3-7-10;1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-9,14H,(H,15,16);1-10,13H.
What are the key properties of 2-anilinobenzoic acid;N-phenylaniline?
2-anilinobenzoic acid;N-phenylaniline has a molecular weight of 382.46 g/mol, XLogP of 6.56, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinobenzoic acid;N-phenylaniline is sourced from PubChem (CID 68732454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).