2-(2-aminobenzoyl)-5-methylbenzoic acid

C15H13NO3 — CID 83381345

IUPAC2-(2-aminobenzoyl)-5-methylbenzoic acid
SMILESCc1ccc(C(=O)c2ccccc2N)c(C(=O)O)c1
InChIInChI=1S/C15H13NO3/c1-9-6-7-10(12(8-9)15(18)19)14(17)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3,(H,18,19)
InChIKeyLVSLDIXAIMTMMT-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.51
Rot. Bonds3

About 2-(2-aminobenzoyl)-5-methylbenzoic acid

2-(2-aminobenzoyl)-5-methylbenzoic acid (PubChem CID 83381345) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2-aminobenzoyl)-5-methylbenzoic acid.

Molecular Properties

Compound Name2-(2-aminobenzoyl)-5-methylbenzoic acid
PubChem CID83381345
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(2-aminobenzoyl)-5-methylbenzoic acid
SMILESCc1ccc(C(=O)c2ccccc2N)c(C(=O)O)c1
InChIInChI=1S/C15H13NO3/c1-9-6-7-10(12(8-9)15(18)19)14(17)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3,(H,18,19)
InChIKeyLVSLDIXAIMTMMT-UHFFFAOYSA-N
XLogP2.51
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.51
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

(2-aminophenyl)-(2-hydroxy-5-methylphenyl)methanone
CID 10680803
2-(2-aminobenzoyl)terephthalic acid
CID 139660056
bis(2-aminobenzoic acid);nickel
CID 73156847
CID 172796646
CID 172796646
2-aminobenzoic acid;azane
CID 21425790
2-aminobenzoic acid;hydrate
CID 70144361
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
2-aminobenzoic acid;1-methyl-4-propan-2-ylbenzene
CID 174500943
2-aminobenzoic acid;urea
CID 158027537
bis[2-(2-amino-5-methylphenyl)phenyl]methanone
CID 139990315
2-benzoyl-5-methylbenzamide
CID 69123799
2-(2-aminobenzoyl)benzoate
CID 6919456

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminobenzoyl)-5-methylbenzoic acid?
The IUPAC name of 2-(2-aminobenzoyl)-5-methylbenzoic acid (CID 83381345) is 2-(2-aminobenzoyl)-5-methylbenzoic acid.
What is the SMILES notation for 2-(2-aminobenzoyl)-5-methylbenzoic acid?
The canonical SMILES for 2-(2-aminobenzoyl)-5-methylbenzoic acid is Cc1ccc(C(=O)c2ccccc2N)c(C(=O)O)c1.
What is the InChIKey of 2-(2-aminobenzoyl)-5-methylbenzoic acid?
The InChIKey is LVSLDIXAIMTMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9-6-7-10(12(8-9)15(18)19)14(17)11-4-2-3-5-13(11)16/h2-8H,16H2,1H3,(H,18,19).
What are the key properties of 2-(2-aminobenzoyl)-5-methylbenzoic acid?
2-(2-aminobenzoyl)-5-methylbenzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminobenzoyl)-5-methylbenzoic acid is sourced from PubChem (CID 83381345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).