2-[2-(dimethylcarbamoyl)phenyl]benzoic acid

C16H15NO3 — CID 2833637

IUPAC2-[2-(dimethylcarbamoyl)phenyl]benzoic acid
SMILESCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-17(2)15(18)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKeyWSCCCPKIORINRC-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.75
Rot. Bonds3

About 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid

2-[2-(dimethylcarbamoyl)phenyl]benzoic acid (PubChem CID 2833637) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(dimethylcarbamoyl)phenyl]benzoic acid
PubChem CID2833637
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[2-(dimethylcarbamoyl)phenyl]benzoic acid
SMILESCN(C)C(=O)c1ccccc1-c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-17(2)15(18)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(19)20/h3-10H,1-2H3,(H,19,20)
InChIKeyWSCCCPKIORINRC-UHFFFAOYSA-N
XLogP2.75
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid (CID 2833637) is 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid is CN(C)C(=O)c1ccccc1-c1ccccc1C(=O)O.
What is the InChIKey of 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid?
The InChIKey is WSCCCPKIORINRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-17(2)15(18)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(19)20/h3-10H,1-2H3,(H,19,20).
What are the key properties of 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid?
2-[2-(dimethylcarbamoyl)phenyl]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 2833637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).