N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide

C26H22F2N2O2 — CID 25016806

IUPACN-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(C2=CCCCc3cc(NC(=O)c4c(F)cccc4F)ccc32)cc1
InChIInChI=1S/C26H22F2N2O2/c1-16(31)29-19-11-9-17(10-12-19)21-6-3-2-5-18-15-20(13-14-22(18)21)30-26(32)25-23(27)7-4-8-24(25)28/h4,6-15H,2-3,5H2,1H3,(H,29,31)(H,30,32)
InChIKeyXEPFNBTVFLNZNY-UHFFFAOYSA-N
MW432.47 g/mol
LogP5.94
Rot. Bonds4

About N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide

N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide (PubChem CID 25016806) has the molecular formula C26H22F2N2O2 and a molecular weight of 432.47 g/mol. Its IUPAC name is N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide.

Molecular Properties

Compound NameN-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide
PubChem CID25016806
Molecular FormulaC26H22F2N2O2
Molecular Weight432.47 g/mol
Exact Mass432.16
IUPAC NameN-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide
SMILESCC(=O)Nc1ccc(C2=CCCCc3cc(NC(=O)c4c(F)cccc4F)ccc32)cc1
InChIInChI=1S/C26H22F2N2O2/c1-16(31)29-19-11-9-17(10-12-19)21-6-3-2-5-18-15-20(13-14-22(18)21)30-26(32)25-23(27)7-4-8-24(25)28/h4,6-15H,2-3,5H2,1H3,(H,29,31)(H,30,32)
InChIKeyXEPFNBTVFLNZNY-UHFFFAOYSA-N
XLogP5.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.47
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide with MolForge

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Related Compounds

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N-(4-bromo-3-methylphenyl)-2,6-difluorobenzamide
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CID 18565104
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
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2-bromo-N-(3,4-dichlorophenyl)-6-fluorobenzamide
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N-[4-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-3-yl)phenyl]-2,6-difluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide?
The IUPAC name of N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide (CID 25016806) is N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide.
What is the SMILES notation for N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide?
The canonical SMILES for N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide is CC(=O)Nc1ccc(C2=CCCCc3cc(NC(=O)c4c(F)cccc4F)ccc32)cc1.
What is the InChIKey of N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide?
The InChIKey is XEPFNBTVFLNZNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N2O2/c1-16(31)29-19-11-9-17(10-12-19)21-6-3-2-5-18-15-20(13-14-22(18)21)30-26(32)25-23(27)7-4-8-24(25)28/h4,6-15H,2-3,5H2,1H3,(H,29,31)(H,30,32).
What are the key properties of N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide?
N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide has a molecular weight of 432.47 g/mol, XLogP of 5.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-acetamidophenyl)-8,9-dihydro-7H-benzo[7]annulen-2-yl]-2,6-difluorobenzamide is sourced from PubChem (CID 25016806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).