2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid

C21H17NO3 — CID 877229

IUPAC2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid
SMILESCN(C(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-22(15-9-3-2-4-10-15)20(23)18-13-7-5-11-16(18)17-12-6-8-14-19(17)21(24)25/h2-14H,1H3,(H,24,25)
InChIKeyGRSQDGOFHUDFQN-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.33
Rot. Bonds4

About 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid

2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid (PubChem CID 877229) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid
PubChem CID877229
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid
SMILESCN(C(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1
InChIInChI=1S/C21H17NO3/c1-22(15-9-3-2-4-10-15)20(23)18-13-7-5-11-16(18)17-12-6-8-14-19(17)21(24)25/h2-14H,1H3,(H,24,25)
InChIKeyGRSQDGOFHUDFQN-UHFFFAOYSA-N
XLogP4.33
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid (CID 877229) is 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid is CN(C(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccccc1.
What is the InChIKey of 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid?
The InChIKey is GRSQDGOFHUDFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-22(15-9-3-2-4-10-15)20(23)18-13-7-5-11-16(18)17-12-6-8-14-19(17)21(24)25/h2-14H,1H3,(H,24,25).
What are the key properties of 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid?
2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid has a molecular weight of 331.37 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl(phenyl)carbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 877229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).