N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide

C14H19F2NO3 — CID 75502045

IUPACN-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1
InChIInChI=1S/C14H19F2NO3/c1-5-19-8-12(18)17-9-6-10(15)13(11(16)7-9)20-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyNIYFEOIHROGNQB-UHFFFAOYSA-N
MW287.31 g/mol
LogP3.12
Rot. Bonds5

About N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide

N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide (PubChem CID 75502045) has the molecular formula C14H19F2NO3 and a molecular weight of 287.31 g/mol. Its IUPAC name is N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide.

Molecular Properties

Compound NameN-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
PubChem CID75502045
Molecular FormulaC14H19F2NO3
Molecular Weight287.31 g/mol
Exact Mass287.13
IUPAC NameN-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide
SMILESCCOCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1
InChIInChI=1S/C14H19F2NO3/c1-5-19-8-12(18)17-9-6-10(15)13(11(16)7-9)20-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18)
InChIKeyNIYFEOIHROGNQB-UHFFFAOYSA-N
XLogP3.12
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide 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

N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-(1H-pyrazol-5-yl)acetamide
CID 75519842
4-[(2-ethoxyacetyl)amino]-2-fluorobenzenesulfonyl chloride
CID 43210055
2-ethoxy-N-(2,3,5,6-tetrafluorophenyl)acetamide
CID 107646149
2-[4-[(2-ethoxyacetyl)amino]phenyl]-2-methylpropanoic acid
CID 80554890
4-[[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]carbamoylamino]butanoic acid
CID 122089327
tert-butyl N-[5-[(2-ethoxyacetyl)amino]-2,3,4-trifluorophenyl]carbamate
CID 136562269
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-ethoxyacetamide
CID 60638343
2-(2-aminoethoxy)-N-(3,4,5-trifluorophenyl)acetamide
CID 79478578
2-ethoxy-N-[4-fluoro-3-(3-hydroxyprop-1-ynyl)phenyl]acetamide
CID 104780485
2-ethoxy-N-(3-hydroxyphenyl)acetamide
CID 28780663
N-(4-bromo-3-methoxyphenyl)-2-ethoxyacetamide
CID 79421127
4-amino-N-(3,5-difluoro-4-methoxyphenyl)butanamide
CID 119290632

Frequently Asked Questions

What is the IUPAC name of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide?
The IUPAC name of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide (CID 75502045) is N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide.
What is the SMILES notation for N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide?
The canonical SMILES for N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide is CCOCC(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1.
What is the InChIKey of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide?
The InChIKey is NIYFEOIHROGNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2NO3/c1-5-19-8-12(18)17-9-6-10(15)13(11(16)7-9)20-14(2,3)4/h6-7H,5,8H2,1-4H3,(H,17,18).
What are the key properties of N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide?
N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide has a molecular weight of 287.31 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-difluoro-4-[(2-methylpropan-2-yl)oxy]phenyl]-2-ethoxyacetamide is sourced from PubChem (CID 75502045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).