N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide

C13H19FN2O2 — CID 106152498

IUPACN-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCOCC(CCN)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-18-9-11(6-7-15)16-13(17)8-10-4-2-3-5-12(10)14/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyXCNGJYBEYNGZAQ-UHFFFAOYSA-N
MW254.30 g/mol
LogP0.85
Rot. Bonds7

About N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide

N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide (PubChem CID 106152498) has the molecular formula C13H19FN2O2 and a molecular weight of 254.30 g/mol. Its IUPAC name is N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
PubChem CID106152498
Molecular FormulaC13H19FN2O2
Molecular Weight254.30 g/mol
Exact Mass254.14
IUPAC NameN-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
SMILESCOCC(CCN)NC(=O)Cc1ccccc1F
InChIInChI=1S/C13H19FN2O2/c1-18-9-11(6-7-15)16-13(17)8-10-4-2-3-5-12(10)14/h2-5,11H,6-9,15H2,1H3,(H,16,17)
InChIKeyXCNGJYBEYNGZAQ-UHFFFAOYSA-N
XLogP0.85
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluorophenyl)-N-(4-hydroxy-1-methoxybutan-2-yl)acetamide
CID 103799437
2-(2-fluorophenyl)-N-(1-hydroxy-3-methoxypropan-2-yl)acetamide
CID 114079004
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
N-(4-amino-1-methoxybutan-2-yl)-2-ethylbenzamide
CID 114150708
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
1-(4-amino-1-methoxybutan-2-yl)-3-[2-(trifluoromethyl)phenyl]urea
CID 106153716
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 106180111
N-(4-chloro-1-methoxybutan-2-yl)-2-phenylacetamide
CID 106155031
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide (CID 106152498) is N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide is COCC(CCN)NC(=O)Cc1ccccc1F.
What is the InChIKey of N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide?
The InChIKey is XCNGJYBEYNGZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-18-9-11(6-7-15)16-13(17)8-10-4-2-3-5-12(10)14/h2-5,11H,6-9,15H2,1H3,(H,16,17).
What are the key properties of N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide?
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide has a molecular weight of 254.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 106152498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).