2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

C19H22FNO — CID 92738396

IUPAC2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H22FNO/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyKBARNZZFPCTOEJ-GOSISDBHSA-N
MW299.39 g/mol
LogP4.27
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide

2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (PubChem CID 92738396) has the molecular formula C19H22FNO and a molecular weight of 299.39 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
PubChem CID92738396
Molecular FormulaC19H22FNO
Molecular Weight299.39 g/mol
Exact Mass299.17
IUPAC Name2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide
SMILESCC(C)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1
InChIInChI=1S/C19H22FNO/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1
InChIKeyKBARNZZFPCTOEJ-GOSISDBHSA-N
XLogP4.27
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-chlorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 28567050
(2S)-2-(4-fluorophenoxy)-N-[(1R)-3-methyl-1-phenylbutyl]propanamide
CID 94013029
4-hydroxy-N-(3-methyl-1-phenylbutyl)pentanamide
CID 79201139
N-(1-bromo-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 113275009
N-[(1S)-3-methyl-1-phenylbutyl]-3,3-diphenylpropanamide
CID 38003610
(2R,3R)-3-[[2-(4-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 99849385
N-(1-amino-4-methylpentan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63754538
[2-[[(1R)-3-methyl-1-phenylbutyl]amino]-2-oxoethyl] 2-(4-methoxyphenyl)acetate
CID 8510915
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-phenylacetamide
CID 2713141
(E)-3-(4-fluorophenyl)-N-[(1S)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016192
(E)-3-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]prop-2-enamide
CID 94016193
(2R)-2-(4-fluorophenoxy)-N-[(1S)-3-methyl-1-phenylbutyl]butanamide
CID 28580208

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide (CID 92738396) is 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is CC(C)C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
The InChIKey is KBARNZZFPCTOEJ-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FNO/c1-14(2)12-18(16-6-4-3-5-7-16)21-19(22)13-15-8-10-17(20)11-9-15/h3-11,14,18H,12-13H2,1-2H3,(H,21,22)/t18-/m1/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide?
2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide has a molecular weight of 299.39 g/mol, XLogP of 4.27, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[(1R)-3-methyl-1-phenylbutyl]acetamide is sourced from PubChem (CID 92738396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).