N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide

C12H17FN2O — CID 62093310

IUPACN-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCC(CCN)NC(=O)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(6-7-14)15-12(16)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyFUAIHJNUDXPYDG-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.22
Rot. Bonds5

About N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide

N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 62093310) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
PubChem CID62093310
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCC(CCN)NC(=O)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(6-7-14)15-12(16)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyFUAIHJNUDXPYDG-UHFFFAOYSA-N
XLogP1.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.28
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-[(2R)-butan-2-yl]-2-(2-fluorophenyl)acetamide
CID 94102090
N-(5-bromopentan-2-yl)-2-(2-fluorophenyl)acetamide
CID 114316527
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
N-(4-aminobutan-2-yl)-2-(2-methoxyphenyl)acetamide
CID 55033188
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
(2R)-2-[[2-(2-fluorophenyl)acetyl]amino]propanoic acid
CID 30120740
2-amino-N-[1-(2-fluorophenyl)propan-2-yl]acetamide;hydrochloride
CID 119289007
N-(1-aminopropan-2-yl)-3-(2-fluorophenyl)propanamide
CID 110833187
5-amino-1-(2-fluorophenyl)-3-methylpentan-2-one
CID 116594933
N-(1-amino-1-sulfanylidenebutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 61118898
3-(2-fluorophenyl)-N-[(2R)-pentan-2-yl]propanamide
CID 94133800

Frequently Asked Questions

What is the IUPAC name of N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide (CID 62093310) is N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide is CC(CCN)NC(=O)Cc1ccccc1F.
What is the InChIKey of N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is FUAIHJNUDXPYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(6-7-14)15-12(16)8-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide?
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 62093310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).