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

C24H16FNO3 — CID 18887590

IUPAC3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12
InChIInChI=1S/C24H16FNO3/c1-14-8-2-6-12-18(14)26-23-20(15-9-3-5-11-17(15)25)21-22(29-23)16-10-4-7-13-19(16)28-24(21)27/h2-13,26H,1H3
InChIKeyOSBVEBPZRQJKHM-UHFFFAOYSA-N
MW385.39 g/mol
LogP6.40
Rot. Bonds3

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

3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one (PubChem CID 18887590) has the molecular formula C24H16FNO3 and a molecular weight of 385.39 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
PubChem CID18887590
Molecular FormulaC24H16FNO3
Molecular Weight385.39 g/mol
Exact Mass385.11
IUPAC Name3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one
SMILESCc1ccccc1Nc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12
InChIInChI=1S/C24H16FNO3/c1-14-8-2-6-12-18(14)26-23-20(15-9-3-5-11-17(15)25)21-22(29-23)16-10-4-7-13-19(16)28-24(21)27/h2-13,26H,1H3
InChIKeyOSBVEBPZRQJKHM-UHFFFAOYSA-N
XLogP6.40
TPSA55.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.39
LogP ≤ 56.40
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 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The IUPAC name of 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one (CID 18887590) is 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The canonical SMILES for 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one is Cc1ccccc1Nc1oc2c(c1-c1ccccc1F)c(=O)oc1ccccc12.
What is the InChIKey of 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
The InChIKey is OSBVEBPZRQJKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FNO3/c1-14-8-2-6-12-18(14)26-23-20(15-9-3-5-11-17(15)25)21-22(29-23)16-10-4-7-13-19(16)28-24(21)27/h2-13,26H,1H3.
What are the key properties of 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one?
3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one has a molecular weight of 385.39 g/mol, XLogP of 6.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2-(2-methylanilino)furo[3,2-c]chromen-4-one is sourced from PubChem (CID 18887590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).