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

C22H19NO3 — CID 823506

IUPAC2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H19NO3/c24-21(23-15-14-16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyKFVGZZOPPLKTMG-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.02
Rot. Bonds6

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

2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid (PubChem CID 823506) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid
PubChem CID823506
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1
InChIInChI=1S/C22H19NO3/c24-21(23-15-14-16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26)
InChIKeyKFVGZZOPPLKTMG-UHFFFAOYSA-N
XLogP4.02
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid (CID 823506) is 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)NCCc1ccccc1.
What is the InChIKey of 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid?
The InChIKey is KFVGZZOPPLKTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c24-21(23-15-14-16-8-2-1-3-9-16)19-12-6-4-10-17(19)18-11-5-7-13-20(18)22(25)26/h1-13H,14-15H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid?
2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid has a molecular weight of 345.40 g/mol, XLogP of 4.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-phenylethylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 823506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).