N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide

C20H22FNO2 — CID 110410733

IUPACN-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
SMILESCC(C)(CCC(=O)NCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-20(2,16-6-4-3-5-7-16)13-12-19(24)22-14-18(23)15-8-10-17(21)11-9-15/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyZKLNEAAKDWVXIW-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide

N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide (PubChem CID 110410733) has the molecular formula C20H22FNO2 and a molecular weight of 327.40 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
PubChem CID110410733
Molecular FormulaC20H22FNO2
Molecular Weight327.40 g/mol
Exact Mass327.16
IUPAC NameN-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide
SMILESCC(C)(CCC(=O)NCC(=O)c1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C20H22FNO2/c1-20(2,16-6-4-3-5-7-16)13-12-19(24)22-14-18(23)15-8-10-17(21)11-9-15/h3-11H,12-14H2,1-2H3,(H,22,24)
InChIKeyZKLNEAAKDWVXIW-UHFFFAOYSA-N
XLogP3.88
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 ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-anilino-2-oxoethyl)-4-methyl-4-phenylpentanamide
CID 110353745
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-(2-methylphenyl)butanamide
CID 110607579
N-(3-hydroxybutyl)-4-methyl-4-phenylpentanamide
CID 109379708
4-methyl-N-[2-(methylsulfamoyl)ethyl]-4-phenylpentanamide
CID 110354804
4-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 71683994
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-(2-methylphenoxy)acetamide
CID 110661711
N-[2-(diethylamino)propyl]-4-methyl-4-phenylpentanamide
CID 110353171
tert-butyl 5-[[2-(4-fluorophenyl)-2-oxoethyl]amino]-3,3-dimethyl-5-oxopentanoate
CID 158659236
4-methyl-4-phenylpentaneperoxoic acid
CID 54384319
N-[2-(4-fluorophenyl)-2-oxoethyl]-2-methylbenzamide
CID 94280945
4-(4-tert-butylphenyl)-N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-oxobutanamide
CID 110308987
(E)-N-[2-(4-fluorophenyl)-2-oxoethyl]-3-phenylpent-2-enamide
CID 110410017

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide?
The IUPAC name of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide (CID 110410733) is N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide is CC(C)(CCC(=O)NCC(=O)c1ccc(F)cc1)c1ccccc1.
What is the InChIKey of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide?
The InChIKey is ZKLNEAAKDWVXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO2/c1-20(2,16-6-4-3-5-7-16)13-12-19(24)22-14-18(23)15-8-10-17(21)11-9-15/h3-11H,12-14H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide?
N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide has a molecular weight of 327.40 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-2-oxoethyl]-4-methyl-4-phenylpentanamide is sourced from PubChem (CID 110410733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).