2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide

C19H22FNO3 — CID 129039243

IUPAC2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
SMILESCCOc1cccc(CC(=O)NC)c1COc1ccc(C)cc1F
InChIInChI=1S/C19H22FNO3/c1-4-23-17-7-5-6-14(11-19(22)21-3)15(17)12-24-18-9-8-13(2)10-16(18)20/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyGBFCYHSLUKDLNI-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.40
Rot. Bonds7

About 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide

2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide (PubChem CID 129039243) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
PubChem CID129039243
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC Name2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
SMILESCCOc1cccc(CC(=O)NC)c1COc1ccc(C)cc1F
InChIInChI=1S/C19H22FNO3/c1-4-23-17-7-5-6-14(11-19(22)21-3)15(17)12-24-18-9-8-13(2)10-16(18)20/h5-10H,4,11-12H2,1-3H3,(H,21,22)
InChIKeyGBFCYHSLUKDLNI-UHFFFAOYSA-N
XLogP3.40
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.39
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-ethoxy-2-[(4-ethyl-2-fluorophenoxy)methyl]phenyl]-N-methylacetamide
CID 126589006
2-[3-ethyl-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]-N-methylacetamide
CID 129039472
2-[3-ethoxy-2-[[4-ethyl-2-(trifluoromethyl)phenoxy]methyl]phenyl]-N-methylacetamide
CID 126588276
methyl 2-[3-ethoxy-2-[(2-ethyl-4-methylphenoxy)methyl]phenyl]acetate
CID 129039214
2-[2-[(4-ethyl-2-methylphenoxy)methyl]-3-fluorophenyl]-N-methylacetamide
CID 126588249
2-[2-[(4-ethyl-2-fluorophenoxy)methyl]-3-(trifluoromethyl)phenyl]-N-methylacetamide
CID 126589009
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-3-methylurea
CID 129038787
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
[3-fluoro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl] propanoate
CID 122645778
2-[2-[(4-ethyl-2,5-dimethylphenoxy)methyl]-3-methoxyphenyl]-N-methylacetamide
CID 126589388
N-[3-chloro-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]propanamide
CID 129038589
1-[2-[(2,4-dimethylphenoxy)methyl]-3-ethoxyphenyl]-1,3-dimethylurea
CID 129038819

Frequently Asked Questions

What is the IUPAC name of 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
The IUPAC name of 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide (CID 129039243) is 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
The canonical SMILES for 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide is CCOc1cccc(CC(=O)NC)c1COc1ccc(C)cc1F.
What is the InChIKey of 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
The InChIKey is GBFCYHSLUKDLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-4-23-17-7-5-6-14(11-19(22)21-3)15(17)12-24-18-9-8-13(2)10-16(18)20/h5-10H,4,11-12H2,1-3H3,(H,21,22).
What are the key properties of 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide?
2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide has a molecular weight of 331.39 g/mol, XLogP of 3.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-ethoxy-2-[(2-fluoro-4-methylphenoxy)methyl]phenyl]-N-methylacetamide is sourced from PubChem (CID 129039243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).