3-[(4-methylbenzoyl)amino]benzoic acid

C15H13NO3 — CID 735216

IUPAC3-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(9-13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyYIUOCQNDNUKQFN-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.95
Rot. Bonds3

About 3-[(4-methylbenzoyl)amino]benzoic acid

3-[(4-methylbenzoyl)amino]benzoic acid (PubChem CID 735216) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]benzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]benzoic acid
PubChem CID735216
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name3-[(4-methylbenzoyl)amino]benzoic acid
SMILESCc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1
InChIInChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(9-13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKeyYIUOCQNDNUKQFN-UHFFFAOYSA-N
XLogP2.95
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]benzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]benzoic acid (CID 735216) is 3-[(4-methylbenzoyl)amino]benzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]benzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]benzoic acid is Cc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]benzoic acid?
The InChIKey is YIUOCQNDNUKQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-10-5-7-11(8-6-10)14(17)16-13-4-2-3-12(9-13)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19).
What are the key properties of 3-[(4-methylbenzoyl)amino]benzoic acid?
3-[(4-methylbenzoyl)amino]benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]benzoic acid is sourced from PubChem (CID 735216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).