2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid

C13H10FNO4 — CID 28765520

IUPAC2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H10FNO4/c14-9-3-1-4-10(7-9)15(8-12(16)17)13(18)11-5-2-6-19-11/h1-7H,8H2,(H,16,17)
InChIKeyUSZLXHBREHHFQB-UHFFFAOYSA-N
MW263.22 g/mol
LogP2.15
Rot. Bonds4

About 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid

2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid (PubChem CID 28765520) has the molecular formula C13H10FNO4 and a molecular weight of 263.22 g/mol. Its IUPAC name is 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid
PubChem CID28765520
Molecular FormulaC13H10FNO4
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid
SMILESO=C(O)CN(C(=O)c1ccco1)c1cccc(F)c1
InChIInChI=1S/C13H10FNO4/c14-9-3-1-4-10(7-9)15(8-12(16)17)13(18)11-5-2-6-19-11/h1-7H,8H2,(H,16,17)
InChIKeyUSZLXHBREHHFQB-UHFFFAOYSA-N
XLogP2.15
TPSA70.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 792367
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CID 303388
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CID 531893
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CID 743722
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CID 13653679
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CID 165361570
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Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid?
The IUPAC name of 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid (CID 28765520) is 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid.
What is the SMILES notation for 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid?
The canonical SMILES for 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid is O=C(O)CN(C(=O)c1ccco1)c1cccc(F)c1.
What is the InChIKey of 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid?
The InChIKey is USZLXHBREHHFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO4/c14-9-3-1-4-10(7-9)15(8-12(16)17)13(18)11-5-2-6-19-11/h1-7H,8H2,(H,16,17).
What are the key properties of 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid?
2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid has a molecular weight of 263.22 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-N-(furan-2-carbonyl)anilino]acetic acid is sourced from PubChem (CID 28765520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).