3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid

C22H18N2O4 — CID 1370499

IUPAC3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cccc1C(=O)O
InChIInChI=1S/C22H18N2O4/c1-14-16(22(27)28)11-7-13-18(14)23-21(26)17-10-5-6-12-19(17)24-20(25)15-8-3-2-4-9-15/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyRUIGYZYGBGAXNH-UHFFFAOYSA-N
MW374.40 g/mol
LogP4.20
Rot. Bonds5

About 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid

3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid (PubChem CID 1370499) has the molecular formula C22H18N2O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid.

Molecular Properties

Compound Name3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid
PubChem CID1370499
Molecular FormulaC22H18N2O4
Molecular Weight374.40 g/mol
Exact Mass374.13
IUPAC Name3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid
SMILESCc1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cccc1C(=O)O
InChIInChI=1S/C22H18N2O4/c1-14-16(22(27)28)11-7-13-18(14)23-21(26)17-10-5-6-12-19(17)24-20(25)15-8-3-2-4-9-15/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28)
InChIKeyRUIGYZYGBGAXNH-UHFFFAOYSA-N
XLogP4.20
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 54.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

Mefenamic Acid
CID 4044
Naptalam
CID 8594
N-acetylanthranilic acid
CID 6971
Tamibarotene
CID 108143
Phthalanilic acid
CID 78458
Naptalam sodium
CID 23690427
Ftaxilide
CID 71895
Diphenylamine-2,2'-dicarboxylic acid
CID 11371
2-(Benzoylamino)benzoic acid
CID 68482
3'-Methylphthalanilic acid
CID 6821
2-((3-Carboxyphenyl)amino)benzoic acid
CID 97298
Bibr 1532
CID 9927531

Frequently Asked Questions

What is the IUPAC name of 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid?
The IUPAC name of 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid (CID 1370499) is 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid.
What is the SMILES notation for 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid?
The canonical SMILES for 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid is Cc1c(NC(=O)c2ccccc2NC(=O)c2ccccc2)cccc1C(=O)O.
What is the InChIKey of 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid?
The InChIKey is RUIGYZYGBGAXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O4/c1-14-16(22(27)28)11-7-13-18(14)23-21(26)17-10-5-6-12-19(17)24-20(25)15-8-3-2-4-9-15/h2-13H,1H3,(H,23,26)(H,24,25)(H,27,28).
What are the key properties of 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid?
3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid has a molecular weight of 374.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-benzamidobenzoyl)amino]-2-methylbenzoic acid is sourced from PubChem (CID 1370499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).