2-(2-carbamoyl-6-methylphenyl)benzoic acid

C15H13NO3 — CID 170993072

IUPAC2-(2-carbamoyl-6-methylphenyl)benzoic acid
SMILESCc1cccc(C(N)=O)c1-c1ccccc1C(=O)O
InChIInChI=1S/C15H13NO3/c1-9-5-4-8-12(14(16)17)13(9)10-6-2-3-7-11(10)15(18)19/h2-8H,1H3,(H2,16,17)(H,18,19)
InChIKeyRMCWEDBJQFBKHB-UHFFFAOYSA-N
MW255.27 g/mol
LogP2.46
Rot. Bonds3

About 2-(2-carbamoyl-6-methylphenyl)benzoic acid

2-(2-carbamoyl-6-methylphenyl)benzoic acid (PubChem CID 170993072) has the molecular formula C15H13NO3 and a molecular weight of 255.27 g/mol. Its IUPAC name is 2-(2-carbamoyl-6-methylphenyl)benzoic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-6-methylphenyl)benzoic acid
PubChem CID170993072
Molecular FormulaC15H13NO3
Molecular Weight255.27 g/mol
Exact Mass255.09
IUPAC Name2-(2-carbamoyl-6-methylphenyl)benzoic acid
SMILESCc1cccc(C(N)=O)c1-c1ccccc1C(=O)O
InChIInChI=1S/C15H13NO3/c1-9-5-4-8-12(14(16)17)13(9)10-6-2-3-7-11(10)15(18)19/h2-8H,1H3,(H2,16,17)(H,18,19)
InChIKeyRMCWEDBJQFBKHB-UHFFFAOYSA-N
XLogP2.46
TPSA80.39 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 ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-6-methylphenyl)benzoic acid?
The IUPAC name of 2-(2-carbamoyl-6-methylphenyl)benzoic acid (CID 170993072) is 2-(2-carbamoyl-6-methylphenyl)benzoic acid.
What is the SMILES notation for 2-(2-carbamoyl-6-methylphenyl)benzoic acid?
The canonical SMILES for 2-(2-carbamoyl-6-methylphenyl)benzoic acid is Cc1cccc(C(N)=O)c1-c1ccccc1C(=O)O.
What is the InChIKey of 2-(2-carbamoyl-6-methylphenyl)benzoic acid?
The InChIKey is RMCWEDBJQFBKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3/c1-9-5-4-8-12(14(16)17)13(9)10-6-2-3-7-11(10)15(18)19/h2-8H,1H3,(H2,16,17)(H,18,19).
What are the key properties of 2-(2-carbamoyl-6-methylphenyl)benzoic acid?
2-(2-carbamoyl-6-methylphenyl)benzoic acid has a molecular weight of 255.27 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-6-methylphenyl)benzoic acid is sourced from PubChem (CID 170993072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).