2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid

C17H17NO3 — CID 2249172

IUPAC2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
SMILESCc1cc(C)c(NC(=O)c2ccccc2C(=O)O)c(C)c1
InChIInChI=1S/C17H17NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyWPQWDSYCEPUTEA-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.56
Rot. Bonds3

About 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid

2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid (PubChem CID 2249172) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
PubChem CID2249172
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid
SMILESCc1cc(C)c(NC(=O)c2ccccc2C(=O)O)c(C)c1
InChIInChI=1S/C17H17NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21)
InChIKeyWPQWDSYCEPUTEA-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

methyl 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoate
CID 108785438
2-[(2-iodobenzoyl)amino]-3,5-dimethylbenzoic acid
CID 63112144
2-hydrazinyl-N-(2,4,6-trimethylphenyl)benzamide
CID 62235197
2,3-dimethyl-N-(2,4,6-trimethylphenyl)benzamide
CID 8760033
2-(trifluoromethyl)-N-(2,4,6-trimethylphenyl)benzamide
CID 7899789
4-benzoyl-N-(2,4,6-trimethylphenyl)benzamide
CID 684747
4-hydroxy-2-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 103863704
2-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]sulfanylbenzoic acid
CID 4907237
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
3-methyl-2-nitro-N-(2,4,6-trimethylphenyl)benzamide
CID 4255599
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
CID 706333
2-(dimethylamino)-N-(2,4,6-trimethylphenyl)pyridine-3-carboxamide
CID 110299276

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid?
The IUPAC name of 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid (CID 2249172) is 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid?
The canonical SMILES for 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid is Cc1cc(C)c(NC(=O)c2ccccc2C(=O)O)c(C)c1.
What is the InChIKey of 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid?
The InChIKey is WPQWDSYCEPUTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO3/c1-10-8-11(2)15(12(3)9-10)18-16(19)13-6-4-5-7-14(13)17(20)21/h4-9H,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid?
2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic 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 2-[(2,4,6-trimethylphenyl)carbamoyl]benzoic acid is sourced from PubChem (CID 2249172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).