3-amino-2-(2-phenylbenzoyl)benzoic acid

C20H15NO3 — CID 70111879

IUPAC3-amino-2-(2-phenylbenzoyl)benzoic acid
SMILESNc1cccc(C(=O)O)c1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H15NO3/c21-17-12-6-11-16(20(23)24)18(17)19(22)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H,21H2,(H,23,24)
InChIKeyXZHZHKSSKOHZBR-UHFFFAOYSA-N
MW317.34 g/mol
LogP3.87
Rot. Bonds4

About 3-amino-2-(2-phenylbenzoyl)benzoic acid

3-amino-2-(2-phenylbenzoyl)benzoic acid (PubChem CID 70111879) has the molecular formula C20H15NO3 and a molecular weight of 317.34 g/mol. Its IUPAC name is 3-amino-2-(2-phenylbenzoyl)benzoic acid.

Molecular Properties

Compound Name3-amino-2-(2-phenylbenzoyl)benzoic acid
PubChem CID70111879
Molecular FormulaC20H15NO3
Molecular Weight317.34 g/mol
Exact Mass317.11
IUPAC Name3-amino-2-(2-phenylbenzoyl)benzoic acid
SMILESNc1cccc(C(=O)O)c1C(=O)c1ccccc1-c1ccccc1
InChIInChI=1S/C20H15NO3/c21-17-12-6-11-16(20(23)24)18(17)19(22)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H,21H2,(H,23,24)
InChIKeyXZHZHKSSKOHZBR-UHFFFAOYSA-N
XLogP3.87
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-phenylphthalic acid;dihydrobromide
CID 67683459
acetylene;2-phenylbenzoic acid
CID 67726329
3-phenyl-2-sulfanylcarbonylbenzoic acid
CID 88677221
3-(4-aminophenyl)phthalic acid
CID 150193527
4-(4-carboxybenzoyl)benzoic acid;3-phenylphthalic acid
CID 175394432
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
(3-aminophenyl)-(2-phenylphenyl)methanone
CID 159233114
anthracene;3-phenylphthalic acid
CID 161382372
2-carbamoyl-3-phenylbenzoic acid;ethanamine
CID 175433924
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
2H-benzotriazole;3-phenylphthalic acid
CID 175494316
2-aminobenzoic acid;hydrate
CID 70144361

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-(2-phenylbenzoyl)benzoic acid?
The IUPAC name of 3-amino-2-(2-phenylbenzoyl)benzoic acid (CID 70111879) is 3-amino-2-(2-phenylbenzoyl)benzoic acid.
What is the SMILES notation for 3-amino-2-(2-phenylbenzoyl)benzoic acid?
The canonical SMILES for 3-amino-2-(2-phenylbenzoyl)benzoic acid is Nc1cccc(C(=O)O)c1C(=O)c1ccccc1-c1ccccc1.
What is the InChIKey of 3-amino-2-(2-phenylbenzoyl)benzoic acid?
The InChIKey is XZHZHKSSKOHZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO3/c21-17-12-6-11-16(20(23)24)18(17)19(22)15-10-5-4-9-14(15)13-7-2-1-3-8-13/h1-12H,21H2,(H,23,24).
What are the key properties of 3-amino-2-(2-phenylbenzoyl)benzoic acid?
3-amino-2-(2-phenylbenzoyl)benzoic acid has a molecular weight of 317.34 g/mol, XLogP of 3.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-(2-phenylbenzoyl)benzoic acid is sourced from PubChem (CID 70111879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).