4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide

C23H18FNO3 — CID 53301438

IUPAC4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide
SMILESCOC1OC(c2ccccc2)=C(c2ccc(C(N)=O)cc2)c2ccc(F)cc21
InChIInChI=1S/C23H18FNO3/c1-27-23-19-13-17(24)11-12-18(19)20(14-7-9-16(10-8-14)22(25)26)21(28-23)15-5-3-2-4-6-15/h2-13,23H,1H3,(H2,25,26)
InChIKeyKIZIQJFJKCXQAA-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.52
Rot. Bonds4

About 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide

4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide (PubChem CID 53301438) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide.

Molecular Properties

Compound Name4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide
PubChem CID53301438
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC Name4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide
SMILESCOC1OC(c2ccccc2)=C(c2ccc(C(N)=O)cc2)c2ccc(F)cc21
InChIInChI=1S/C23H18FNO3/c1-27-23-19-13-17(24)11-12-18(19)20(14-7-9-16(10-8-14)22(25)26)21(28-23)15-5-3-2-4-6-15/h2-13,23H,1H3,(H2,25,26)
InChIKeyKIZIQJFJKCXQAA-UHFFFAOYSA-N
XLogP4.52
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide?
The IUPAC name of 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide (CID 53301438) is 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide.
What is the SMILES notation for 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide?
The canonical SMILES for 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide is COC1OC(c2ccccc2)=C(c2ccc(C(N)=O)cc2)c2ccc(F)cc21.
What is the InChIKey of 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide?
The InChIKey is KIZIQJFJKCXQAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-27-23-19-13-17(24)11-12-18(19)20(14-7-9-16(10-8-14)22(25)26)21(28-23)15-5-3-2-4-6-15/h2-13,23H,1H3,(H2,25,26).
What are the key properties of 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide?
4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide has a molecular weight of 375.40 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-fluoro-1-methoxy-3-phenyl-1H-isochromen-4-yl)benzamide is sourced from PubChem (CID 53301438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).