N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide

C23H18FNO3 — CID 157085528

IUPACN-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
SMILESCOc1cc(F)ccc1-c1ccc(NC(=O)c2ccccc2)c2c1CCC2=O
InChIInChI=1S/C23H18FNO3/c1-28-21-13-15(24)7-8-17(21)16-9-11-19(22-18(16)10-12-20(22)26)25-23(27)14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3,(H,25,27)
InChIKeyAEARIZZEXLDGIT-UHFFFAOYSA-N
MW375.40 g/mol
LogP4.88
Rot. Bonds4

About N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide

N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide (PubChem CID 157085528) has the molecular formula C23H18FNO3 and a molecular weight of 375.40 g/mol. Its IUPAC name is N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide.

Molecular Properties

Compound NameN-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
PubChem CID157085528
Molecular FormulaC23H18FNO3
Molecular Weight375.40 g/mol
Exact Mass375.13
IUPAC NameN-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
SMILESCOc1cc(F)ccc1-c1ccc(NC(=O)c2ccccc2)c2c1CCC2=O
InChIInChI=1S/C23H18FNO3/c1-28-21-13-15(24)7-8-17(21)16-9-11-19(22-18(16)10-12-20(22)26)25-23(27)14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3,(H,25,27)
InChIKeyAEARIZZEXLDGIT-UHFFFAOYSA-N
XLogP4.88
TPSA55.40 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 ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The IUPAC name of N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide (CID 157085528) is N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide.
What is the SMILES notation for N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The canonical SMILES for N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide is COc1cc(F)ccc1-c1ccc(NC(=O)c2ccccc2)c2c1CCC2=O.
What is the InChIKey of N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The InChIKey is AEARIZZEXLDGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FNO3/c1-28-21-13-15(24)7-8-17(21)16-9-11-19(22-18(16)10-12-20(22)26)25-23(27)14-5-3-2-4-6-14/h2-9,11,13H,10,12H2,1H3,(H,25,27).
What are the key properties of N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide has a molecular weight of 375.40 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(4-fluoro-2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide is sourced from PubChem (CID 157085528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).