4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol

C17H13ClFNO2 — CID 54525579

IUPAC4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol
SMILESCNc1oc(-c2cccc(F)c2)c(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClFNO2/c1-20-17-14(10-4-2-6-12(18)8-10)15(21)16(22-17)11-5-3-7-13(19)9-11/h2-9,20-21H,1H3
InChIKeyYSWNJEWEOXPQQJ-UHFFFAOYSA-N
MW317.75 g/mol
LogP5.15
Rot. Bonds3

About 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol

4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol (PubChem CID 54525579) has the molecular formula C17H13ClFNO2 and a molecular weight of 317.75 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol.

Molecular Properties

Compound Name4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol
PubChem CID54525579
Molecular FormulaC17H13ClFNO2
Molecular Weight317.75 g/mol
Exact Mass317.06
IUPAC Name4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol
SMILESCNc1oc(-c2cccc(F)c2)c(O)c1-c1cccc(Cl)c1
InChIInChI=1S/C17H13ClFNO2/c1-20-17-14(10-4-2-6-12(18)8-10)15(21)16(22-17)11-5-3-7-13(19)9-11/h2-9,20-21H,1H3
InChIKeyYSWNJEWEOXPQQJ-UHFFFAOYSA-N
XLogP5.15
TPSA45.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.75
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol?
The IUPAC name of 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol (CID 54525579) is 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol.
What is the SMILES notation for 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol?
The canonical SMILES for 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol is CNc1oc(-c2cccc(F)c2)c(O)c1-c1cccc(Cl)c1.
What is the InChIKey of 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol?
The InChIKey is YSWNJEWEOXPQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO2/c1-20-17-14(10-4-2-6-12(18)8-10)15(21)16(22-17)11-5-3-7-13(19)9-11/h2-9,20-21H,1H3.
What are the key properties of 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol?
4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol has a molecular weight of 317.75 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-2-(3-fluorophenyl)-5-(methylamino)furan-3-ol is sourced from PubChem (CID 54525579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).