2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide

C12H16F2N2O3 — CID 63598301

IUPAC2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(F)c(N)cc1F
InChIInChI=1S/C12H16F2N2O3/c1-7(5-18-2)16-12(17)6-19-11-4-8(13)10(15)3-9(11)14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyPFXUGVKCMZEGLH-UHFFFAOYSA-N
MW274.27 g/mol
LogP1.08
Rot. Bonds6

About 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide

2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide (PubChem CID 63598301) has the molecular formula C12H16F2N2O3 and a molecular weight of 274.27 g/mol. Its IUPAC name is 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
PubChem CID63598301
Molecular FormulaC12H16F2N2O3
Molecular Weight274.27 g/mol
Exact Mass274.11
IUPAC Name2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
SMILESCOCC(C)NC(=O)COc1cc(F)c(N)cc1F
InChIInChI=1S/C12H16F2N2O3/c1-7(5-18-2)16-12(17)6-19-11-4-8(13)10(15)3-9(11)14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17)
InChIKeyPFXUGVKCMZEGLH-UHFFFAOYSA-N
XLogP1.08
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.27
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-amino-2-fluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 54957165
4-amino-2-[2-(1-methoxypropan-2-ylamino)-2-oxoethoxy]benzamide
CID 106955522
N-[(2R)-1-methoxypropan-2-yl]-2-(2,4,5-trichlorophenoxy)acetamide
CID 7832745
2-(2,4-dichlorophenoxy)-N-[(2S)-1-methoxypropan-2-yl]acetamide
CID 2095997
2-(4-amino-3-fluorophenyl)sulfonyl-N-(1-methoxypropan-2-yl)acetamide
CID 81186724
2-[4-(2-aminoethyl)-2-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 61488137
2-(2,4-dibromophenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 18161002
2-[2-(1-aminoethyl)-5-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63639918
2-[2-[(1R)-1-aminoethyl]-4-methylphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 63367325
2-(3-amino-2,6-dimethylphenoxy)-N-(1-methoxypropan-2-yl)acetamide
CID 62018700
2-[2-[(1S)-1-aminoethyl]-5-methoxyphenoxy]-N-(1-methoxypropan-2-yl)acetamide
CID 82000074
2-(4-amino-3-fluorophenyl)sulfinyl-N-(1-methoxypropan-2-yl)acetamide
CID 81190581

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The IUPAC name of 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide (CID 63598301) is 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide.
What is the SMILES notation for 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The canonical SMILES for 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide is COCC(C)NC(=O)COc1cc(F)c(N)cc1F.
What is the InChIKey of 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
The InChIKey is PFXUGVKCMZEGLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O3/c1-7(5-18-2)16-12(17)6-19-11-4-8(13)10(15)3-9(11)14/h3-4,7H,5-6,15H2,1-2H3,(H,16,17).
What are the key properties of 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide?
2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide has a molecular weight of 274.27 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,5-difluorophenoxy)-N-(1-methoxypropan-2-yl)acetamide is sourced from PubChem (CID 63598301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).