2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide

C13H16FNO2 — CID 64996810

IUPAC2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
SMILESCC(C)C(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-9(2)12(16)8-15-13(17)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyAEGRQZQPMWMLHI-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.71
Rot. Bonds5

About 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide

2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide (PubChem CID 64996810) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
PubChem CID64996810
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide
SMILESCC(C)C(=O)CNC(=O)Cc1ccc(F)cc1
InChIInChI=1S/C13H16FNO2/c1-9(2)12(16)8-15-13(17)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17)
InChIKeyAEGRQZQPMWMLHI-UHFFFAOYSA-N
XLogP1.71
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-bromo-2-methylpropyl)-2-(4-fluorophenyl)acetamide
CID 114313529
N-[2-[2,6-di(propan-2-yl)anilino]-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 113000660
N-[2-(butylamino)-2-oxoethyl]-2-(4-fluorophenyl)acetamide
CID 112990632
2,4-difluoro-N-(3-methyl-2-oxobutyl)benzamide
CID 64996923
(2-methylphenyl) 2-[[2-(4-fluorophenyl)acetyl]amino]acetate
CID 110670271
ethyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-oxopropanoate
CID 159126386
2-(4-fluorophenyl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 4878219
2-(4-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 103861403
2-[[2-(4-fluorophenyl)acetyl]amino]ethylcarbamic acid
CID 69253351
methyl 3-[[2-(4-fluorophenyl)acetyl]amino]-2-hydroxypropanoate
CID 113344194
methyl 4-[[2-[[2-(4-fluorophenyl)acetyl]amino]acetyl]amino]benzoate
CID 112999943
N-(2-chloro-3-ethylpentyl)-2-(4-fluorophenyl)acetamide
CID 106287581

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide (CID 64996810) is 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide is CC(C)C(=O)CNC(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide?
The InChIKey is AEGRQZQPMWMLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-9(2)12(16)8-15-13(17)7-10-3-5-11(14)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,15,17).
What are the key properties of 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide?
2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide has a molecular weight of 237.27 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-(3-methyl-2-oxobutyl)acetamide is sourced from PubChem (CID 64996810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).