2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid

C13H9BrFNO4 — CID 138042550

IUPAC2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1ccc(Br)o1
InChIInChI=1S/C13H9BrFNO4/c14-10-6-5-9(20-10)12(17)16-11(13(18)19)7-3-1-2-4-8(7)15/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyUFZLUHKTVARWFY-UHFFFAOYSA-N
MW342.12 g/mol
LogP2.74
Rot. Bonds4

About 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid

2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid (PubChem CID 138042550) has the molecular formula C13H9BrFNO4 and a molecular weight of 342.12 g/mol. Its IUPAC name is 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid.

Molecular Properties

Compound Name2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid
PubChem CID138042550
Molecular FormulaC13H9BrFNO4
Molecular Weight342.12 g/mol
Exact Mass340.97
IUPAC Name2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid
SMILESO=C(NC(C(=O)O)c1ccccc1F)c1ccc(Br)o1
InChIInChI=1S/C13H9BrFNO4/c14-10-6-5-9(20-10)12(17)16-11(13(18)19)7-3-1-2-4-8(7)15/h1-6,11H,(H,16,17)(H,18,19)
InChIKeyUFZLUHKTVARWFY-UHFFFAOYSA-N
XLogP2.74
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromofuran-2-carbonyl)amino]-2-phenylacetic acid
CID 16792434
2-[(3-fluorobenzoyl)amino]-2-(2-fluorophenyl)acetic acid
CID 75357523
(2S)-2-(2-fluorophenyl)-2-[(2-methylfuran-3-carbonyl)amino]acetic acid
CID 97337478
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]furan-2-carboxamide
CID 51150401
(2S)-2-(benzylamino)-2-(2-fluorophenyl)acetic acid
CID 26985403
(2R)-2-[(5-bromofuran-2-carbonyl)amino]-4-methylpentanoic acid
CID 30077278
3-[(5-bromofuran-2-carbonyl)amino]butanoic acid
CID 43240633
2-(2-fluorophenyl)-2-(1H-indazole-3-carbonylamino)acetic acid
CID 170858350
(2R)-4-amino-2-[(5-bromofuran-2-carbonyl)amino]-4-oxobutanoic acid
CID 30118248
5-bromo-N-(2-ethyl-1-phenylbutyl)furan-2-carboxamide
CID 63524768
5-bromo-N-[1-(5-fluoro-2-methoxyphenyl)ethyl]furan-2-carboxamide
CID 60794862
2-(4-fluoroanilino)-2-(2-fluorophenyl)acetic acid
CID 54889513

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid?
The IUPAC name of 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid (CID 138042550) is 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid.
What is the SMILES notation for 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid?
The canonical SMILES for 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid is O=C(NC(C(=O)O)c1ccccc1F)c1ccc(Br)o1.
What is the InChIKey of 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid?
The InChIKey is UFZLUHKTVARWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFNO4/c14-10-6-5-9(20-10)12(17)16-11(13(18)19)7-3-1-2-4-8(7)15/h1-6,11H,(H,16,17)(H,18,19).
What are the key properties of 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid?
2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid has a molecular weight of 342.12 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromofuran-2-carbonyl)amino]-2-(2-fluorophenyl)acetic acid is sourced from PubChem (CID 138042550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).