2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one

C23H14FNO3 — CID 18887561

IUPAC2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(Nc3ccccc3)c(-c3cccc(F)c3)c12
InChIInChI=1S/C23H14FNO3/c24-15-8-6-7-14(13-15)19-20-21(17-11-4-5-12-18(17)27-23(20)26)28-22(19)25-16-9-2-1-3-10-16/h1-13,25H
InChIKeyFSAGWZOEKQYHOW-UHFFFAOYSA-N
MW371.37 g/mol
LogP6.09
Rot. Bonds3

About 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one

2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one (PubChem CID 18887561) has the molecular formula C23H14FNO3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
PubChem CID18887561
Molecular FormulaC23H14FNO3
Molecular Weight371.37 g/mol
Exact Mass371.10
IUPAC Name2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(Nc3ccccc3)c(-c3cccc(F)c3)c12
InChIInChI=1S/C23H14FNO3/c24-15-8-6-7-14(13-15)19-20-21(17-11-4-5-12-18(17)27-23(20)26)28-22(19)25-16-9-2-1-3-10-16/h1-13,25H
InChIKeyFSAGWZOEKQYHOW-UHFFFAOYSA-N
XLogP6.09
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.37
LogP ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one (CID 18887561) is 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one is O=c1oc2ccccc2c2oc(Nc3ccccc3)c(-c3cccc(F)c3)c12.
What is the InChIKey of 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
The InChIKey is FSAGWZOEKQYHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNO3/c24-15-8-6-7-14(13-15)19-20-21(17-11-4-5-12-18(17)27-23(20)26)28-22(19)25-16-9-2-1-3-10-16/h1-13,25H.
What are the key properties of 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one?
2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one has a molecular weight of 371.37 g/mol, XLogP of 6.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-3-(3-fluorophenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).