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

C17H17NO3 — CID 63653663

IUPAC5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C17H17NO3/c1-10-4-5-11(2)14(8-10)16(19)18-13-7-6-12(3)15(9-13)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyFHUBHDYXNKKBOD-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.56
Rot. Bonds3

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

5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid (PubChem CID 63653663) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
PubChem CID63653663
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid
SMILESCc1ccc(C)c(C(=O)Nc2ccc(C)c(C(=O)O)c2)c1
InChIInChI=1S/C17H17NO3/c1-10-4-5-11(2)14(8-10)16(19)18-13-7-6-12(3)15(9-13)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyFHUBHDYXNKKBOD-UHFFFAOYSA-N
XLogP3.56
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(5-chloro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 82877012
5-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbenzoic acid
CID 63652796
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
5-[(2,5-dichlorobenzoyl)amino]-2-methylbenzoic acid
CID 63653152
5-[(2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63654708
5-[(2,5-dimethylthiophene-3-carbonyl)amino]-2-methylbenzoic acid
CID 63654176
2-methyl-5-[(4-methylthiophene-3-carbonyl)amino]benzoic acid
CID 79802864
5-[(5-chloro-2-hydroxybenzoyl)amino]-2-methylbenzoic acid
CID 63653834
4-[(2-bromo-5-methylbenzoyl)amino]-2-methylbenzoic acid
CID 81110247
5-[(2-bromofuran-3-carbonyl)amino]-2-methylbenzoic acid
CID 106851029
5-[(5-bromo-2-chlorobenzoyl)amino]-2-methylbenzoic acid
CID 63654704
2-[4-[(2,5-dimethylbenzoyl)amino]phenyl]-2-methylpropanoic acid
CID 119254214

Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid (CID 63653663) is 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid is Cc1ccc(C)c(C(=O)Nc2ccc(C)c(C(=O)O)c2)c1.
What is the InChIKey of 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is FHUBHDYXNKKBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-4-5-11(2)14(8-10)16(19)18-13-7-6-12(3)15(9-13)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid?
5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 283.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dimethylbenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 63653663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).