N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide

C12H16F2N2O2 — CID 106180111

IUPACN-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESCOCC(CN)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-18-7-9(6-15)16-12(17)5-8-2-3-10(13)11(14)4-8/h2-4,9H,5-7,15H2,1H3,(H,16,17)
InChIKeyLYVGWRBHWACNJK-UHFFFAOYSA-N
MW258.27 g/mol
LogP0.60
Rot. Bonds6

About N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide

N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide (PubChem CID 106180111) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound NameN-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
PubChem CID106180111
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC NameN-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide
SMILESCOCC(CN)NC(=O)Cc1ccc(F)c(F)c1
InChIInChI=1S/C12H16F2N2O2/c1-18-7-9(6-15)16-12(17)5-8-2-3-10(13)11(14)4-8/h2-4,9H,5-7,15H2,1H3,(H,16,17)
InChIKeyLYVGWRBHWACNJK-UHFFFAOYSA-N
XLogP0.60
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide
CID 119664954
N-(1-aminohexan-2-yl)-2-(3-fluoro-4-methoxyphenyl)acetamide;hydrochloride
CID 119664953
N-(4-amino-1-methoxybutan-2-yl)-2-(4-methoxyphenyl)acetamide
CID 106152212
methyl 3-[[2-(3,4-difluorophenyl)acetyl]amino]-2-iodopropanoate
CID 103493208
N-(1-chloro-3-methoxypropan-2-yl)-2-(3,4-dichlorophenyl)acetamide
CID 106182352
N-(4-amino-1-methoxybutan-2-yl)-2-(3-methylphenyl)acetamide
CID 106152342
2-(3,4-difluorophenyl)-N-(1-hydroxypentan-3-yl)acetamide
CID 109479337
N-(1-bromo-3-methoxypropan-2-yl)-2-(4-fluorophenyl)acetamide
CID 106184175
N-(4-amino-1-methoxybutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 106152498
N-(1-amino-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106180175
N-(1-aminobutan-2-yl)-2-(4-fluorophenyl)acetamide
CID 63753722
N-(1-bromo-3-methylbutan-2-yl)-2-(3,4-difluorophenyl)acetamide
CID 114316159

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide?
The IUPAC name of N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide (CID 106180111) is N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide?
The canonical SMILES for N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide is COCC(CN)NC(=O)Cc1ccc(F)c(F)c1.
What is the InChIKey of N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide?
The InChIKey is LYVGWRBHWACNJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-18-7-9(6-15)16-12(17)5-8-2-3-10(13)11(14)4-8/h2-4,9H,5-7,15H2,1H3,(H,16,17).
What are the key properties of N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide?
N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide has a molecular weight of 258.27 g/mol, XLogP of 0.60, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-3-methoxypropan-2-yl)-2-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 106180111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).