2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one

C17H13ClFNO2 — CID 88673709

IUPAC2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one
SMILESCC1=C(c2cccc(Cl)c2)C(=O)C(N)(c2cccc(F)c2)O1
InChIInChI=1S/C17H13ClFNO2/c1-10-15(11-4-2-6-13(18)8-11)16(21)17(20,22-10)12-5-3-7-14(19)9-12/h2-9H,20H2,1H3
InChIKeyRKYWFNRYFKNCFO-UHFFFAOYSA-N
MW317.75 g/mol
LogP3.62
Rot. Bonds2

About 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one

2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one (PubChem CID 88673709) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one
PubChem CID88673709
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one
SMILESCC1=C(c2cccc(Cl)c2)C(=O)C(N)(c2cccc(F)c2)O1
InChIInChI=1S/C17H13ClFNO2/c1-10-15(11-4-2-6-13(18)8-11)16(21)17(20,22-10)12-5-3-7-14(19)9-12/h2-9H,20H2,1H3
InChIKeyRKYWFNRYFKNCFO-UHFFFAOYSA-N
XLogP3.62
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one (CID 88673709) is 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one is CC1=C(c2cccc(Cl)c2)C(=O)C(N)(c2cccc(F)c2)O1.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one?
The InChIKey is RKYWFNRYFKNCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-10-15(11-4-2-6-13(18)8-11)16(21)17(20,22-10)12-5-3-7-14(19)9-12/h2-9H,20H2,1H3.
What are the key properties of 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one?
2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one has a molecular weight of 317.75 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-methylfuran-3-one is sourced from PubChem (CID 88673709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).