2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide

C13H18FNO — CID 78799919

IUPAC2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)10(3)15-13(16)8-11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyPWLUQKACKVMIDY-UHFFFAOYSA-N
MW223.29 g/mol
LogP2.53
Rot. Bonds4

About 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide

2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide (PubChem CID 78799919) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
PubChem CID78799919
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
SMILESCC(C)C(C)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H18FNO/c1-9(2)10(3)15-13(16)8-11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16)
InChIKeyPWLUQKACKVMIDY-UHFFFAOYSA-N
XLogP2.53
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
2-(2-fluorophenyl)-N-(2-methyl-1-phenylpropyl)acetamide
CID 84915033
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
CID 114316527
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 7733439
2-(2-fluorophenyl)-N-[1-(2-methylphenyl)ethyl]acetamide
CID 18082306
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]-4-methylpentanoic acid
CID 30115441
3-[[2-(2-fluorophenyl)acetyl]amino]-2-methyl-3-phenylpropanoic acid
CID 75513395
N-[1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 51150426
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 8782184

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide?
The IUPAC name of 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide (CID 78799919) is 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide.
What is the SMILES notation for 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide?
The canonical SMILES for 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide is CC(C)C(C)NC(=O)Cc1ccccc1F.
What is the InChIKey of 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide?
The InChIKey is PWLUQKACKVMIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-9(2)10(3)15-13(16)8-11-6-4-5-7-12(11)14/h4-7,9-10H,8H2,1-3H3,(H,15,16).
What are the key properties of 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide?
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide has a molecular weight of 223.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide is sourced from PubChem (CID 78799919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).