2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide

C33H26FNO2 — CID 174268385

IUPAC2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(C(=O)C2C=c3ccccc3=c3ccc4c(c32)CCCC=4)cc1
InChIInChI=1S/C33H26FNO2/c34-30-12-6-3-9-24(30)20-31(36)35-25-16-13-22(14-17-25)33(37)29-19-23-8-2-4-10-26(23)28-18-15-21-7-1-5-11-27(21)32(28)29/h2-4,6-10,12-19,29H,1,5,11,20H2,(H,35,36)
InChIKeyQJRBPJSEAACTDB-UHFFFAOYSA-N
MW487.57 g/mol
LogP5.17
Rot. Bonds5

About 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide

2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide (PubChem CID 174268385) has the molecular formula C33H26FNO2 and a molecular weight of 487.57 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide
PubChem CID174268385
Molecular FormulaC33H26FNO2
Molecular Weight487.57 g/mol
Exact Mass487.19
IUPAC Name2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide
SMILESO=C(Cc1ccccc1F)Nc1ccc(C(=O)C2C=c3ccccc3=c3ccc4c(c32)CCCC=4)cc1
InChIInChI=1S/C33H26FNO2/c34-30-12-6-3-9-24(30)20-31(36)35-25-16-13-22(14-17-25)33(37)29-19-23-8-2-4-10-26(23)28-18-15-21-7-1-5-11-27(21)32(28)29/h2-4,6-10,12-19,29H,1,5,11,20H2,(H,35,36)
InChIKeyQJRBPJSEAACTDB-UHFFFAOYSA-N
XLogP5.17
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.57
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluorophenyl)-N-(4-hydroxyphenyl)acetamide
CID 28739611
N-[4-(4-fluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112986867
N-[4-(3,4-difluoroanilino)phenyl]-2-(2-fluorophenyl)acetamide
CID 112990293
2,2,2-trifluoro-N-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]acetamide
CID 108933170
2-(2-fluorophenyl)-N-[4-[(2-methylphenyl)methylamino]phenyl]acetamide
CID 112982033
2-[4-[[2-(2-fluorophenyl)acetyl]amino]phenyl]-N-methylacetamide
CID 35364792
4-[[2-(2-fluorophenyl)acetyl]amino]-N-(4-methoxyphenyl)benzamide
CID 2677119
N-[4-(1-aminoethyl)phenyl]-2-(2-fluorophenyl)acetamide
CID 16783462
methyl 4-[[2-[[2-(2-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999954
2-(2-chloroanilino)-N-[4-[5-(dimethylamino)-2,3,4,5-tetrahydrochrysene-1-carbonyl]phenyl]acetamide
CID 174293277
N-(4-butylphenyl)-2-(2-fluorophenyl)acetamide
CID 100635724
N-[4-(4-bromophenoxy)phenyl]-2-(2-fluorophenyl)acetamide
CID 7964936

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide (CID 174268385) is 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide is O=C(Cc1ccccc1F)Nc1ccc(C(=O)C2C=c3ccccc3=c3ccc4c(c32)CCCC=4)cc1.
What is the InChIKey of 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide?
The InChIKey is QJRBPJSEAACTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26FNO2/c34-30-12-6-3-9-24(30)20-31(36)35-25-16-13-22(14-17-25)33(37)29-19-23-8-2-4-10-26(23)28-18-15-21-7-1-5-11-27(21)32(28)29/h2-4,6-10,12-19,29H,1,5,11,20H2,(H,35,36).
What are the key properties of 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide?
2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide has a molecular weight of 487.57 g/mol, XLogP of 5.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-[4-(2,3,4,5-tetrahydrochrysene-5-carbonyl)phenyl]acetamide is sourced from PubChem (CID 174268385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).