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

C23H14FNO3 — CID 18887562

IUPAC2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(Nc3ccccc3)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H14FNO3/c24-15-12-10-14(11-13-15)19-20-21(17-8-4-5-9-18(17)27-23(20)26)28-22(19)25-16-6-2-1-3-7-16/h1-13,25H
InChIKeyIQAKSFAKJLCHFP-UHFFFAOYSA-N
MW371.37 g/mol
LogP6.09
Rot. Bonds3

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

2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one (PubChem CID 18887562) has the molecular formula C23H14FNO3 and a molecular weight of 371.37 g/mol. Its IUPAC name is 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one
PubChem CID18887562
Molecular FormulaC23H14FNO3
Molecular Weight371.37 g/mol
Exact Mass371.10
IUPAC Name2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one
SMILESO=c1oc2ccccc2c2oc(Nc3ccccc3)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C23H14FNO3/c24-15-12-10-14(11-13-15)19-20-21(17-8-4-5-9-18(17)27-23(20)26)28-22(19)25-16-6-2-1-3-7-16/h1-13,25H
InChIKeyIQAKSFAKJLCHFP-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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Related Compounds

6H-[1]benzofuro[2,3-b]quinolin-11-one
CID 12621903
5-methyl-4-(4-oxofuro[3,2-c]chromen-2-yl)-2-phenyl-1H-pyrazol-3-one
CID 53249142
2-(4,11-dimethyl-2-oxo-6,7,8,9-tetrahydro-[1]benzofuro[3,2-g]chromen-3-yl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 71584254
3-(4-fluorophenyl)-2-((2-methoxyethyl)amino)-8-methyl-4H-furo[3,2-c]chromen-4-one
CID 16462218
N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
CID 135024756
2-(Cyclohexylamino)-3-(4-nitrophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11200525
2-(Cyclohexylamino)-3-(4-chlorophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11280858
2-(2,6-Dimethylphenylamino)-3-(4-nitrophenyl)-4h-furo[3,2-c]chromen-4-one
CID 11304853
2-(Cyclohexylamino)-3-(4-methoxyphenyl)-4h-furo[3,2-c]chromen-4-one
CID 12024775
2-(t-Butylamino)-3-(4-nitrophenyl)-4h-furo[3,2-c]chromen-4-one
CID 12152581
3-Benzoyl-2-(phenylamino)-9H-furo[3,2-b]chromen-9-one
CID 139191869
2-(cyclohexylamino)-3-phenyl-4H-furo[3,2-c]chromen-4-one
CID 12024774

Frequently Asked Questions

What is the IUPAC name of 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one?
The IUPAC name of 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one (CID 18887562) is 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one?
The canonical SMILES for 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one is O=c1oc2ccccc2c2oc(Nc3ccccc3)c(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one?
The InChIKey is IQAKSFAKJLCHFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FNO3/c24-15-12-10-14(11-13-15)19-20-21(17-8-4-5-9-18(17)27-23(20)26)28-22(19)25-16-6-2-1-3-7-16/h1-13,25H.
What are the key properties of 2-anilino-3-(4-fluorophenyl)furo[3,2-c]chromen-4-one?
2-anilino-3-(4-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-(4-fluorophenyl)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).