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

C23H19FN2O3 — CID 147109047

IUPAC4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
SMILESCOc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)c2c1CCC2=O
InChIInChI=1S/C23H19FN2O3/c1-29-21-5-3-2-4-18(21)25-17-11-12-19(22-16(17)10-13-20(22)27)26-23(28)14-6-8-15(24)9-7-14/h2-9,11-12,25H,10,13H2,1H3,(H,26,28)
InChIKeyBMDFNCWQOOQYFM-UHFFFAOYSA-N
MW390.41 g/mol
LogP4.96
Rot. Bonds5

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

4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide (PubChem CID 147109047) has the molecular formula C23H19FN2O3 and a molecular weight of 390.41 g/mol. Its IUPAC name is 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
PubChem CID147109047
Molecular FormulaC23H19FN2O3
Molecular Weight390.41 g/mol
Exact Mass390.14
IUPAC Name4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide
SMILESCOc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)c2c1CCC2=O
InChIInChI=1S/C23H19FN2O3/c1-29-21-5-3-2-4-18(21)25-17-11-12-19(22-16(17)10-13-20(22)27)26-23(28)14-6-8-15(24)9-7-14/h2-9,11-12,25H,10,13H2,1H3,(H,26,28)
InChIKeyBMDFNCWQOOQYFM-UHFFFAOYSA-N
XLogP4.96
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.41
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066
N-(7-anilino-3-oxo-1,2-dihydroinden-4-yl)-4-(2-hydroxyethylamino)benzamide
CID 160848649
N-[7-(2,4-dimethoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]benzamide
CID 159920274
2-methoxy-N-(3-oxo-7-phenyl-1,2-dihydroinden-4-yl)benzamide
CID 147732049
N-[7-(2-methoxyphenyl)-3-oxo-1,2-dihydroinden-4-yl]-4-(2-piperidin-1-ylethylamino)benzamide
CID 157396417
N-(2-methoxyphenyl)-4-sulfanylbenzamide
CID 107019826
N-[3-oxo-7-[2-(trifluoromethoxy)phenyl]-1,2-dihydroinden-4-yl]benzamide
CID 147926657
N-(2,4-dimethoxyphenyl)-4-fluorobenzamide
CID 2832276
N-[4-(2,4-dimethoxyanilino)phenyl]-4-fluorobenzamide
CID 112987930
3-anilino-N-(4-fluorophenyl)-4-methoxybenzamide
CID 18626285
4-[[6-(4-fluorophenyl)pyrimidin-4-yl]amino]-N-(2-methoxyphenyl)benzamide
CID 50783843
N-[7-(2,3-dimethoxyphenyl)-3-oxo-1,2-dihydroisoindol-4-yl]-4-fluorobenzamide
CID 122639167

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The IUPAC name of 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide (CID 147109047) is 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide is COc1ccccc1Nc1ccc(NC(=O)c2ccc(F)cc2)c2c1CCC2=O.
What is the InChIKey of 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
The InChIKey is BMDFNCWQOOQYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN2O3/c1-29-21-5-3-2-4-18(21)25-17-11-12-19(22-16(17)10-13-20(22)27)26-23(28)14-6-8-15(24)9-7-14/h2-9,11-12,25H,10,13H2,1H3,(H,26,28).
What are the key properties of 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide?
4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide has a molecular weight of 390.41 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[7-(2-methoxyanilino)-3-oxo-1,2-dihydroinden-4-yl]benzamide is sourced from PubChem (CID 147109047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).