2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide

C12H17FN2O3 — CID 54957165

IUPAC2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyMGVSHZDNTOGDIA-UHFFFAOYSA-N
MW256.28 g/mol
LogP0.94
Rot. Bonds6

About 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 54957165) has the molecular formula C12H17FN2O3 and a molecular weight of 256.28 g/mol. Its IUPAC name is 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID54957165
Molecular FormulaC12H17FN2O3
Molecular Weight256.28 g/mol
Exact Mass256.12
IUPAC Name2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1ccc(N)cc1F
InChIInChI=1S/C12H17FN2O3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16)
InChIKeyMGVSHZDNTOGDIA-UHFFFAOYSA-N
XLogP0.94
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.28
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 63598301
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
N-[(2S)-1-aminopropan-2-yl]-2-(2,4-difluorophenoxy)acetamide;hydrochloride
CID 120507855
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-[4-(2-aminopropyl)-2-bromophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63052526
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
4-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]-3-methylbenzoic acid
CID 107673588
2-[2-(2-aminoethyl)-6-fluorophenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 115957905
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 54957165) is 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1ccc(N)cc1F.
What is the InChIKey of 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is MGVSHZDNTOGDIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3/c1-8(6-17-2)15-12(16)7-18-11-4-3-9(14)5-10(11)13/h3-5,8H,6-7,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 256.28 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 54957165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).