4-(2-fluoroanilino)-4-oxobutanoic acid

C10H10FNO3 — CID 573893

IUPAC4-(2-fluoroanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H10FNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyUWBFZPLATNJACG-UHFFFAOYSA-N
MW211.19 g/mol
LogP1.63
Rot. Bonds4

About 4-(2-fluoroanilino)-4-oxobutanoic acid

4-(2-fluoroanilino)-4-oxobutanoic acid (PubChem CID 573893) has the molecular formula C10H10FNO3 and a molecular weight of 211.19 g/mol. Its IUPAC name is 4-(2-fluoroanilino)-4-oxobutanoic acid.

Molecular Properties

Compound Name4-(2-fluoroanilino)-4-oxobutanoic acid
PubChem CID573893
Molecular FormulaC10H10FNO3
Molecular Weight211.19 g/mol
Exact Mass211.06
IUPAC Name4-(2-fluoroanilino)-4-oxobutanoic acid
SMILESO=C(O)CCC(=O)Nc1ccccc1F
InChIInChI=1S/C10H10FNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15)
InChIKeyUWBFZPLATNJACG-UHFFFAOYSA-N
XLogP1.63
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-fluorophenyl)-4-hydrazinyl-4-oxobutanamide
CID 91820804
3-[2-(2-fluoroanilino)-2-oxoethyl]sulfinylpropanoic acid
CID 60982589
2-[[2-(2-fluoroanilino)-2-oxoethyl]amino]acetic acid
CID 43466135
N-(2-fluorophenyl)butanamide
CID 849021
3-[[2-(2-fluoroanilino)-2-oxoethyl]-methylamino]propanoic acid
CID 60987825
4-[[3-[(2-fluorophenyl)carbamoyl]thiophen-2-yl]amino]-4-oxobutanoic acid
CID 6469123
3-[cyclopropyl-[3-(2-fluoroanilino)-3-oxopropyl]amino]propanoic acid
CID 60840730
N-(2-fluorophenyl)-2-iodoacetamide
CID 12611676
N-(2-fluorophenyl)-5-hydroxypentanamide
CID 79019059
4-(2-bromoanilino)-4-oxobutanoic acid
CID 744789
N-(2-fluorophenyl)hexanamide
CID 3481165
4-(2-fluoro-5-methylanilino)-4-oxobutanoic acid
CID 6470807

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroanilino)-4-oxobutanoic acid?
The IUPAC name of 4-(2-fluoroanilino)-4-oxobutanoic acid (CID 573893) is 4-(2-fluoroanilino)-4-oxobutanoic acid.
What is the SMILES notation for 4-(2-fluoroanilino)-4-oxobutanoic acid?
The canonical SMILES for 4-(2-fluoroanilino)-4-oxobutanoic acid is O=C(O)CCC(=O)Nc1ccccc1F.
What is the InChIKey of 4-(2-fluoroanilino)-4-oxobutanoic acid?
The InChIKey is UWBFZPLATNJACG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO3/c11-7-3-1-2-4-8(7)12-9(13)5-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 4-(2-fluoroanilino)-4-oxobutanoic acid?
4-(2-fluoroanilino)-4-oxobutanoic acid has a molecular weight of 211.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroanilino)-4-oxobutanoic acid is sourced from PubChem (CID 573893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).