2-[(2,3-dimethylphenyl)carbamoyl]benzoate

C16H14NO3- — CID 6950917

IUPAC2-[(2,3-dimethylphenyl)carbamoyl]benzoate
SMILESCc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1C
InChIInChI=1S/C16H15NO3/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyNANJTVUHWVLWBC-UHFFFAOYSA-M
MW268.29 g/mol
LogP1.92
Rot. Bonds3

About 2-[(2,3-dimethylphenyl)carbamoyl]benzoate

2-[(2,3-dimethylphenyl)carbamoyl]benzoate (PubChem CID 6950917) has the molecular formula C16H14NO3- and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-[(2,3-dimethylphenyl)carbamoyl]benzoate.

Molecular Properties

Compound Name2-[(2,3-dimethylphenyl)carbamoyl]benzoate
PubChem CID6950917
Molecular FormulaC16H14NO3-
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-[(2,3-dimethylphenyl)carbamoyl]benzoate
SMILESCc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1C
InChIInChI=1S/C16H15NO3/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1
InChIKeyNANJTVUHWVLWBC-UHFFFAOYSA-M
XLogP1.92
TPSA69.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-carboxylatobenzoyl)amino]-2-methylbenzoate
CID 9326527
2-bromo-N-(2,3-dimethylphenyl)-3-methylbenzamide
CID 103852657
copper 2-(2,3-dimethylanilino)benzoate
CID 135564277
2-[2-[(2-methylphenyl)carbamoyl]phenyl]benzoate
CID 4052008
2-[[4-[4-[(2-carboxylatobenzoyl)amino]-3-methylphenyl]-2-methylphenyl]carbamoyl]benzoate
CID 6962175
N-(2,3-dimethylphenyl)-2-(propan-2-ylcarbamoylamino)benzamide
CID 51216735
N-(3-iodo-2-methylphenyl)-2,3-dimethylbenzamide
CID 113368793
sodium 2-(2,3-dimethylanilino)-3-methylbenzoate
CID 23680214
3-hydroxy-2-methyl-N-(2-methylphenyl)benzamide
CID 82786919
N-(2-ethylphenyl)-2,3-dimethylbenzamide
CID 7923827
2-(2,3-dimethylanilino)-N-(2-fluorophenyl)benzamide
CID 18273886
2-[(4-bromophenyl)sulfonylamino]-N-(2,3-dimethylphenyl)benzamide
CID 2334087

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dimethylphenyl)carbamoyl]benzoate?
The IUPAC name of 2-[(2,3-dimethylphenyl)carbamoyl]benzoate (CID 6950917) is 2-[(2,3-dimethylphenyl)carbamoyl]benzoate.
What is the SMILES notation for 2-[(2,3-dimethylphenyl)carbamoyl]benzoate?
The canonical SMILES for 2-[(2,3-dimethylphenyl)carbamoyl]benzoate is Cc1cccc(NC(=O)c2ccccc2C(=O)[O-])c1C.
What is the InChIKey of 2-[(2,3-dimethylphenyl)carbamoyl]benzoate?
The InChIKey is NANJTVUHWVLWBC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H15NO3/c1-10-6-5-9-14(11(10)2)17-15(18)12-7-3-4-8-13(12)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)/p-1.
What are the key properties of 2-[(2,3-dimethylphenyl)carbamoyl]benzoate?
2-[(2,3-dimethylphenyl)carbamoyl]benzoate has a molecular weight of 268.29 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dimethylphenyl)carbamoyl]benzoate is sourced from PubChem (CID 6950917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).