5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid

C16H16N2O3 — CID 63115622

IUPAC5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-9-3-4-10(2)12(7-9)15(19)18-14-6-5-11(17)8-13(14)16(20)21/h3-8H,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMYUJLIUWRQFFTC-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.84
Rot. Bonds3

About 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid

5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid (PubChem CID 63115622) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
PubChem CID63115622
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(N)cc2C(=O)O)c1
InChIInChI=1S/C16H16N2O3/c1-9-3-4-10(2)12(7-9)15(19)18-14-6-5-11(17)8-13(14)16(20)21/h3-8H,17H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyMYUJLIUWRQFFTC-UHFFFAOYSA-N
XLogP2.84
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-amino-2-[(2-bromo-5-methylbenzoyl)amino]benzoic acid
CID 81111004
5-methyl-2-[(2-methylbenzoyl)amino]benzoic acid
CID 21232994
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
CID 63653663
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
5-amino-2-[(3-hydroxy-2-methylbenzoyl)amino]benzoic acid
CID 82808977
2-[(2-fluoro-5-methylbenzoyl)amino]-5-methylbenzoic acid
CID 62515827
5-amino-2-[(4,5-dimethylthiophene-2-carbonyl)amino]benzoic acid
CID 65237727
5-amino-2-[(3-methylfuran-2-carbonyl)amino]benzoic acid
CID 63115795
2-[(2,4-dichlorobenzoyl)amino]-5-methylbenzoic acid
CID 4287647
N-(5-amino-2-methylphenyl)-2-bromo-5-methylbenzamide
CID 81110048
4-amino-2-[(2-hydroxy-4-methylbenzoyl)amino]benzoic acid
CID 63116147
2-[(2-amino-3-bromobenzoyl)amino]-5-methylbenzoic acid
CID 110451428

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid?
The IUPAC name of 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid (CID 63115622) is 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid?
The canonical SMILES for 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid is Cc1ccc(C)c(C(=O)Nc2ccc(N)cc2C(=O)O)c1.
What is the InChIKey of 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid?
The InChIKey is MYUJLIUWRQFFTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-9-3-4-10(2)12(7-9)15(19)18-14-6-5-11(17)8-13(14)16(20)21/h3-8H,17H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid?
5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid has a molecular weight of 284.32 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-[(2,5-dimethylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 63115622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).