N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide

C12H10FNO4 — CID 90080667

IUPACN-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccc(F)cc2)c(O)c1O
InChIInChI=1S/C12H10FNO4/c1-6(15)14-12-10(17)9(16)11(18-12)7-2-4-8(13)5-3-7/h2-5,16-17H,1H3,(H,14,15)
InChIKeyMOOCCNXBFWWOAK-UHFFFAOYSA-N
MW251.21 g/mol
LogP2.46
Rot. Bonds2

About N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide

N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide (PubChem CID 90080667) has the molecular formula C12H10FNO4 and a molecular weight of 251.21 g/mol. Its IUPAC name is N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
PubChem CID90080667
Molecular FormulaC12H10FNO4
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC NameN-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide
SMILESCC(=O)Nc1oc(-c2ccc(F)cc2)c(O)c1O
InChIInChI=1S/C12H10FNO4/c1-6(15)14-12-10(17)9(16)11(18-12)7-2-4-8(13)5-3-7/h2-5,16-17H,1H3,(H,14,15)
InChIKeyMOOCCNXBFWWOAK-UHFFFAOYSA-N
XLogP2.46
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 52.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The IUPAC name of N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide (CID 90080667) is N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide.
What is the SMILES notation for N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The canonical SMILES for N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide is CC(=O)Nc1oc(-c2ccc(F)cc2)c(O)c1O.
What is the InChIKey of N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
The InChIKey is MOOCCNXBFWWOAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO4/c1-6(15)14-12-10(17)9(16)11(18-12)7-2-4-8(13)5-3-7/h2-5,16-17H,1H3,(H,14,15).
What are the key properties of N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide?
N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide has a molecular weight of 251.21 g/mol, XLogP of 2.46, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-fluorophenyl)-3,4-dihydroxyfuran-2-yl]acetamide is sourced from PubChem (CID 90080667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).