2-[(2-methylphenyl)methylcarbamoyl]benzoic acid

C16H15NO3 — CID 7315336

IUPAC2-[(2-methylphenyl)methylcarbamoyl]benzoic acid
SMILESCc1ccccc1CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-11-6-2-3-7-12(11)10-17-15(18)13-8-4-5-9-14(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyRJWQVKJGHYPMID-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.62
Rot. Bonds4

About 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid

2-[(2-methylphenyl)methylcarbamoyl]benzoic acid (PubChem CID 7315336) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid.

Molecular Properties

Compound Name2-[(2-methylphenyl)methylcarbamoyl]benzoic acid
PubChem CID7315336
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Name2-[(2-methylphenyl)methylcarbamoyl]benzoic acid
SMILESCc1ccccc1CNC(=O)c1ccccc1C(=O)O
InChIInChI=1S/C16H15NO3/c1-11-6-2-3-7-12(11)10-17-15(18)13-8-4-5-9-14(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyRJWQVKJGHYPMID-UHFFFAOYSA-N
XLogP2.62
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid?
The IUPAC name of 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid (CID 7315336) is 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid.
What is the SMILES notation for 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid?
The canonical SMILES for 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid is Cc1ccccc1CNC(=O)c1ccccc1C(=O)O.
What is the InChIKey of 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid?
The InChIKey is RJWQVKJGHYPMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3/c1-11-6-2-3-7-12(11)10-17-15(18)13-8-4-5-9-14(13)16(19)20/h2-9H,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid?
2-[(2-methylphenyl)methylcarbamoyl]benzoic acid has a molecular weight of 269.30 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylphenyl)methylcarbamoyl]benzoic acid is sourced from PubChem (CID 7315336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).