2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid

C15H12FNO3 — CID 53227063

IUPAC2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
SMILESCNC(=O)c1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C15H12FNO3/c1-17-14(18)10-5-2-4-9(8-10)11-6-3-7-12(16)13(11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyGUFDJJRDNCSZBX-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.55
Rot. Bonds3

About 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid

2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid (PubChem CID 53227063) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
PubChem CID53227063
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid
SMILESCNC(=O)c1cccc(-c2cccc(F)c2C(=O)O)c1
InChIInChI=1S/C15H12FNO3/c1-17-14(18)10-5-2-4-9(8-10)11-6-3-7-12(16)13(11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20)
InChIKeyGUFDJJRDNCSZBX-UHFFFAOYSA-N
XLogP2.55
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[3-(ethylcarbamoyl)phenyl]-6-fluorobenzoic acid
CID 53227842
2-(3-aminophenyl)-6-fluorobenzoic acid
CID 53224916
2-(3-carboxy-5-fluorophenyl)-6-fluorobenzoic acid
CID 53227346
3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
2-(3,4-difluorophenyl)-6-fluorobenzoic acid
CID 53225881
2-fluoro-6-(3-propylphenyl)benzoic acid
CID 114560373
N-methyl-3-(2-propan-2-ylphenyl)benzamide
CID 142590167
N-benzyl-2-[3-(methylcarbamoyl)phenyl]benzamide
CID 171673970
2-(4-chloro-3-methylphenyl)-6-fluorobenzoic acid
CID 53226778
2-fluoro-6-(2-methyl-4-pyridinyl)benzoic acid
CID 114560371
2-fluoro-6-[3-(trifluoromethoxy)phenyl]benzoic acid
CID 53228236
2-chloro-6-[3-(ethylcarbamoyl)phenyl]benzoic acid
CID 53227852

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid?
The IUPAC name of 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid (CID 53227063) is 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid.
What is the SMILES notation for 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid?
The canonical SMILES for 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid is CNC(=O)c1cccc(-c2cccc(F)c2C(=O)O)c1.
What is the InChIKey of 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid?
The InChIKey is GUFDJJRDNCSZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c1-17-14(18)10-5-2-4-9(8-10)11-6-3-7-12(16)13(11)15(19)20/h2-8H,1H3,(H,17,18)(H,19,20).
What are the key properties of 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid?
2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid has a molecular weight of 273.26 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[3-(methylcarbamoyl)phenyl]benzoic acid is sourced from PubChem (CID 53227063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).