N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide

C24H14FNO4 — CID 135024756

IUPACN-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)oc2c1c(=O)oc1ccccc12)c1ccccc1
InChIInChI=1S/C24H14FNO4/c25-16-12-10-14(11-13-16)21-20(26-23(27)15-6-2-1-3-7-15)19-22(30-21)17-8-4-5-9-18(17)29-24(19)28/h1-13H,(H,26,27)
InChIKeyPCJLPVYHGMIKJN-UHFFFAOYSA-N
MW399.38 g/mol
LogP5.60
Rot. Bonds3

About N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide

N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide (PubChem CID 135024756) has the molecular formula C24H14FNO4 and a molecular weight of 399.38 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
PubChem CID135024756
Molecular FormulaC24H14FNO4
Molecular Weight399.38 g/mol
Exact Mass399.09
IUPAC NameN-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide
SMILESO=C(Nc1c(-c2ccc(F)cc2)oc2c1c(=O)oc1ccccc12)c1ccccc1
InChIInChI=1S/C24H14FNO4/c25-16-12-10-14(11-13-16)21-20(26-23(27)15-6-2-1-3-7-15)19-22(30-21)17-8-4-5-9-18(17)29-24(19)28/h1-13H,(H,26,27)
InChIKeyPCJLPVYHGMIKJN-UHFFFAOYSA-N
XLogP5.60
TPSA72.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.38
LogP ≤ 55.60
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 N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
The IUPAC name of N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide (CID 135024756) is N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide is O=C(Nc1c(-c2ccc(F)cc2)oc2c1c(=O)oc1ccccc12)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
The InChIKey is PCJLPVYHGMIKJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H14FNO4/c25-16-12-10-14(11-13-16)21-20(26-23(27)15-6-2-1-3-7-15)19-22(30-21)17-8-4-5-9-18(17)29-24(19)28/h1-13H,(H,26,27).
What are the key properties of N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide?
N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide has a molecular weight of 399.38 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-4-oxofuro[3,2-c]chromen-3-yl]benzamide is sourced from PubChem (CID 135024756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).