2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid

C21H16FNO3 — CID 1431342

IUPAC2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyISXMGDFMDFIRRK-UHFFFAOYSA-N
MW349.36 g/mol
LogP4.12
Rot. Bonds5

About 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid

2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid (PubChem CID 1431342) has the molecular formula C21H16FNO3 and a molecular weight of 349.36 g/mol. Its IUPAC name is 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid
PubChem CID1431342
Molecular FormulaC21H16FNO3
Molecular Weight349.36 g/mol
Exact Mass349.11
IUPAC Name2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid
SMILESO=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F
InChIInChI=1S/C21H16FNO3/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26)
InChIKeyISXMGDFMDFIRRK-UHFFFAOYSA-N
XLogP4.12
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.36
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid?
The IUPAC name of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid (CID 1431342) is 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid.
What is the SMILES notation for 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid?
The canonical SMILES for 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid is O=C(O)c1ccccc1-c1ccccc1C(=O)NCc1ccccc1F.
What is the InChIKey of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid?
The InChIKey is ISXMGDFMDFIRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FNO3/c22-19-12-6-1-7-14(19)13-23-20(24)17-10-4-2-8-15(17)16-9-3-5-11-18(16)21(25)26/h1-12H,13H2,(H,23,24)(H,25,26).
What are the key properties of 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid?
2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid has a molecular weight of 349.36 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-fluorophenyl)methylcarbamoyl]phenyl]benzoic acid is sourced from PubChem (CID 1431342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).