N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide

C12H17FN2O — CID 62666475

IUPACN-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
SMILESCC(CN)CNC(=O)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(7-14)8-15-12(16)6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyJYFCCXBKQXKYPF-UHFFFAOYSA-N
MW224.28 g/mol
LogP1.08
Rot. Bonds5

About N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide

N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide (PubChem CID 62666475) has the molecular formula C12H17FN2O and a molecular weight of 224.28 g/mol. Its IUPAC name is N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
PubChem CID62666475
Molecular FormulaC12H17FN2O
Molecular Weight224.28 g/mol
Exact Mass224.13
IUPAC NameN-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide
SMILESCC(CN)CNC(=O)Cc1ccccc1F
InChIInChI=1S/C12H17FN2O/c1-9(7-14)8-15-12(16)6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16)
InChIKeyJYFCCXBKQXKYPF-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-amino-2-methylpropyl)-3-(2-fluorophenyl)butanamide
CID 119995472
N-(3-amino-2-methylpropyl)-3-(2,3-difluorophenyl)propanamide;hydrochloride
CID 119996136
N-[(2S)-1-aminopropan-2-yl]-2-(2-fluorophenyl)acetamide;hydrochloride
CID 120506125
N-(2-aminopentyl)-2-(2-fluorophenyl)acetamide
CID 115733578
N-(4-aminobutan-2-yl)-2-(2-fluorophenyl)acetamide
CID 62093310
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
N-(3-amino-2-methylpropyl)-3-[(2-phenylacetyl)amino]propanamide
CID 119996452
2-(2,3-difluorophenyl)-N-[2-methyl-3-(methylamino)propyl]acetamide
CID 81486845
2-(2-fluorophenyl)-N-(5-hydroxy-4-methylpentyl)acetamide
CID 113340863
N-(3-amino-2-methylpropyl)-2-[4-(2-methylpropyl)phenyl]acetamide
CID 115271670
N-(3-amino-2-methylpropyl)-2-fluoro-6-methoxybenzamide
CID 65433400
N-(2,2-dimethylpropyl)-2-(2-fluorophenyl)acetamide
CID 110472861

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide?
The IUPAC name of N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide (CID 62666475) is N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide?
The canonical SMILES for N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide is CC(CN)CNC(=O)Cc1ccccc1F.
What is the InChIKey of N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide?
The InChIKey is JYFCCXBKQXKYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O/c1-9(7-14)8-15-12(16)6-10-4-2-3-5-11(10)13/h2-5,9H,6-8,14H2,1H3,(H,15,16).
What are the key properties of N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide?
N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide has a molecular weight of 224.28 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2-methylpropyl)-2-(2-fluorophenyl)acetamide is sourced from PubChem (CID 62666475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).