2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid

C15H12FNO3 — CID 169198623

IUPAC2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO3/c16-13-6-4-10(5-7-13)11-2-1-3-12(8-11)15(20)17-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyFPHUJNYXMYRDPZ-UHFFFAOYSA-N
MW273.26 g/mol
LogP2.31
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid

2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid (PubChem CID 169198623) has the molecular formula C15H12FNO3 and a molecular weight of 273.26 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
PubChem CID169198623
Molecular FormulaC15H12FNO3
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid
SMILESO=C(O)CNC(=O)c1cccc(-c2ccc(F)cc2)c1
InChIInChI=1S/C15H12FNO3/c16-13-6-4-10(5-7-13)11-2-1-3-12(8-11)15(20)17-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19)
InChIKeyFPHUJNYXMYRDPZ-UHFFFAOYSA-N
XLogP2.31
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-[(3-fluorobenzoyl)amino]benzoyl]amino]acetic acid
CID 45434759
3-(4-fluorophenyl)-N-[[(2S)-pyrrolidin-2-yl]methyl]benzamide;hydrochloride
CID 154911098
N-[(2S)-2,5-dihydroxy-2-methylpentyl]-3-(4-fluorophenyl)benzamide
CID 125167425
2-benzamidoacetic acid;hydrofluoride
CID 174760685
2-[(3-methoxycarbonylbenzoyl)amino]acetic acid
CID 108786639
2-[[7-(4-fluorophenyl)-2-hydroxy-4-oxothiochromene-3-carbonyl]amino]acetic acid;2-[(2-hydroxy-4-oxo-7-phenylthiochromene-3-carbonyl)amino]acetic acid
CID 67421000
2-[(3-propan-2-ylbenzoyl)amino]acetic acid
CID 90058974
2-[[3-(tribromomethoxycarbonyl)benzoyl]amino]acetic acid
CID 58971754
2-[[3-(dimethylsulfamoyl)benzoyl]amino]acetic acid
CID 2456563
[3-[3-(4-fluorobenzoyl)phenyl]phenyl]-(4-fluorophenyl)methanone
CID 71341049
3-(4-methylsulfanylphenyl)-N-[2-oxo-2-(2-phenylethylamino)ethyl]benzamide
CID 134800698
2-[[4-[3-(3,3,3-trifluoropropylcarbamoylamino)phenyl]benzoyl]amino]acetic acid
CID 22092703

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid?
The IUPAC name of 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid (CID 169198623) is 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid?
The canonical SMILES for 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid is O=C(O)CNC(=O)c1cccc(-c2ccc(F)cc2)c1.
What is the InChIKey of 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid?
The InChIKey is FPHUJNYXMYRDPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO3/c16-13-6-4-10(5-7-13)11-2-1-3-12(8-11)15(20)17-9-14(18)19/h1-8H,9H2,(H,17,20)(H,18,19).
What are the key properties of 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid?
2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid has a molecular weight of 273.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)benzoyl]amino]acetic acid is sourced from PubChem (CID 169198623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).