2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid

C15H11F2NO3 — CID 75357523

IUPAC2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C15H11F2NO3/c16-10-5-3-4-9(8-10)14(19)18-13(15(20)21)11-6-1-2-7-12(11)17/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyYGHWHQLSBCOTRJ-UHFFFAOYSA-N
MW291.25 g/mol
LogP2.52
Rot. Bonds4

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

2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid (PubChem CID 75357523) has the molecular formula C15H11F2NO3 and a molecular weight of 291.25 g/mol. Its IUPAC name is 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
PubChem CID75357523
Molecular FormulaC15H11F2NO3
Molecular Weight291.25 g/mol
Exact Mass291.07
IUPAC Name2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1cccc(F)c1
InChIInChI=1S/C15H11F2NO3/c16-10-5-3-4-9(8-10)14(19)18-13(15(20)21)11-6-1-2-7-12(11)17/h1-8,13H,(H,18,19)(H,20,21)
InChIKeyYGHWHQLSBCOTRJ-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.25
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54890173
3-fluoro-N-[(R)-(2-fluorophenyl)-(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 92711123
(2S)-2-(2,4-difluorophenyl)-2-(quinoline-6-carbonylamino)acetic acid
CID 97259411
N-[(S)-(4-chlorophenyl)-phenylmethyl]-3-fluorobenzamide
CID 973229
2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid
CID 138042550
2-benzamido-2-(2-methylphenyl)acetic acid
CID 82092810
2-(2,5-difluorophenyl)-2-[(2-methyl-3H-benzimidazole-5-carbonyl)amino]acetic acid
CID 166321480
3-[(3-fluorobenzoyl)amino]butanoic acid
CID 43240622
(2S)-2-[(3-fluoro-4-methylbenzoyl)amino]-2-phenylacetic acid
CID 30045725
4-amino-2-[(3-fluorobenzoyl)amino]-4-oxobutanoic acid
CID 16772747
(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
CID 97337478
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513

Frequently Asked Questions

What is the IUPAC name of 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid (CID 75357523) is 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid is O=C(NC(C(=O)O)c1ccccc1F)c1cccc(F)c1.
What is the InChIKey of 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid?
The InChIKey is YGHWHQLSBCOTRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO3/c16-10-5-3-4-9(8-10)14(19)18-13(15(20)21)11-6-1-2-7-12(11)17/h1-8,13H,(H,18,19)(H,20,21).
What are the key properties of 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid?
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid has a molecular weight of 291.25 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 75357523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).