3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate

C16H11NO5-2 — CID 9326527

IUPAC3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
SMILESCc1c(NC(=O)c2ccccc2C(=O)[O-])cccc1C(=O)[O-]
InChIInChI=1S/C16H13NO5/c1-9-10(15(19)20)7-4-8-13(9)17-14(18)11-5-2-3-6-12(11)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2
InChIKeyQZPUGHFDCWSYPI-UHFFFAOYSA-L
MW297.27 g/mol
LogP-0.03
Rot. Bonds4

About 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate

3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate (PubChem CID 9326527) has the molecular formula C16H11NO5-2 and a molecular weight of 297.27 g/mol. Its IUPAC name is 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate.

Molecular Properties

Compound Name3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
PubChem CID9326527
Molecular FormulaC16H11NO5-2
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
SMILESCc1c(NC(=O)c2ccccc2C(=O)[O-])cccc1C(=O)[O-]
InChIInChI=1S/C16H13NO5/c1-9-10(15(19)20)7-4-8-13(9)17-14(18)11-5-2-3-6-12(11)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2
InChIKeyQZPUGHFDCWSYPI-UHFFFAOYSA-L
XLogP-0.03
TPSA109.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2,3-dimethylphenyl)carbamoyl]benzoate
CID 6950917
2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
disodium;2-methylbenzene-1,3-dicarboxylate
CID 70439180
2-[(2-methylfuran-3-carbonyl)amino]benzoate
CID 2225644
methyl 2-methyl-3-[(2-methylsulfanylbenzoyl)amino]benzoate
CID 2980681
methyl N-[2-methyl-3-[(2-methylphenyl)carbamoyl]phenyl]carbamate
CID 58399637
2-[(3-methyl-1-benzofuran-2-carbonyl)amino]benzoate
CID 7463653
3-[[2-(4-methoxyphenyl)acetyl]amino]-2-methylbenzoate
CID 4176095
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
methyl 2-methyl-3-[[2-[(4-methylphenyl)sulfonylamino]benzoyl]amino]benzoate
CID 2980517

Frequently Asked Questions

What is the IUPAC name of 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate?
The IUPAC name of 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate (CID 9326527) is 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate.
What is the SMILES notation for 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate?
The canonical SMILES for 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate is Cc1c(NC(=O)c2ccccc2C(=O)[O-])cccc1C(=O)[O-].
What is the InChIKey of 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate?
The InChIKey is QZPUGHFDCWSYPI-UHFFFAOYSA-L. The full InChI is InChI=1S/C16H13NO5/c1-9-10(15(19)20)7-4-8-13(9)17-14(18)11-5-2-3-6-12(11)16(21)22/h2-8H,1H3,(H,17,18)(H,19,20)(H,21,22)/p-2.
What are the key properties of 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate?
3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate has a molecular weight of 297.27 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate is sourced from PubChem (CID 9326527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).