N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

C20H22FNO2 — CID 108795547

IUPACN-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c1-3-14-6-5-7-15(4-2)20(14)22-19(24)13-12-18(23)16-8-10-17(21)11-9-16/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyOSVXWDLORXJNHU-UHFFFAOYSA-N
MW327.40 g/mol
LogP4.55
Rot. Bonds7

About N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide

N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (PubChem CID 108795547) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.

Molecular Properties

Compound NameN-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
PubChem CID108795547
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
SMILESCCc1cccc(CC)c1NC(=O)CCC(=O)c1ccc(F)cc1
InChIInChI=1S/C20H22FNO2/c1-3-14-6-5-7-15(4-2)20(14)22-19(24)13-12-18(23)16-8-10-17(21)11-9-16/h5-11H,3-4,12-13H2,1-2H3,(H,22,24)
InChIKeyOSVXWDLORXJNHU-UHFFFAOYSA-N
XLogP4.55
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-diethylphenyl)-4-oxopentanamide
CID 65419318
[2-(2,6-diethylanilino)-2-oxoethyl] 4-(4-methylsulfanylphenyl)-4-oxobutanoate
CID 7829270
4-(4-fluorophenyl)-N-(6-methylpyridazin-3-yl)-4-oxobutanamide
CID 125462713
N-(2,6-diethylphenyl)-3-[4-(4-fluorophenyl)piperazin-1-yl]propanamide
CID 109027339
3-[[4-(4-fluorophenyl)-4-oxobutanoyl]amino]benzoic acid
CID 108795529
N-[3-(ethylaminomethyl)phenyl]-4-(4-fluorophenyl)-4-oxobutanamide;hydrochloride
CID 119438414
4-(4-fluorophenyl)-N-(4-hydroxyphenyl)-4-oxobutanamide
CID 51186783
N-(5-fluoro-2-methylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 9211912
N-(4-anilinophenyl)-4-(4-fluorophenyl)-4-oxobutanamide
CID 46467442
N-(2,6-diethylphenyl)-2-[(4-fluorophenyl)sulfonylamino]acetamide
CID 112997342
N-(2,6-diethylphenyl)-2-[2-(4-fluorophenyl)ethylamino]acetamide
CID 109000450
4-(4-fluorophenyl)-N',N'-dimethyl-4-oxobutanehydrazide
CID 9163716

Frequently Asked Questions

What is the IUPAC name of N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The IUPAC name of N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide (CID 108795547) is N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide.
What is the SMILES notation for N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The canonical SMILES for N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is CCc1cccc(CC)c1NC(=O)CCC(=O)c1ccc(F)cc1.
What is the InChIKey of N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
The InChIKey is OSVXWDLORXJNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-3-14-6-5-7-15(4-2)20(14)22-19(24)13-12-18(23)16-8-10-17(21)11-9-16/h5-11H,3-4,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide?
N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide has a molecular weight of 327.40 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-diethylphenyl)-4-(4-fluorophenyl)-4-oxobutanamide is sourced from PubChem (CID 108795547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).