2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

C21H25F2NO4 — CID 46415294

IUPAC2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)COc2ccc(F)cc2F)ccc1OCC(C)C
InChIInChI=1S/C21H25F2NO4/c1-13(2)11-27-19-7-5-15(9-20(19)26-4)14(3)24-21(25)12-28-18-8-6-16(22)10-17(18)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)
InChIKeyCYRBGSXPIJAYBT-UHFFFAOYSA-N
MW393.43 g/mol
LogP4.26
Rot. Bonds9

About 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide

2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (PubChem CID 46415294) has the molecular formula C21H25F2NO4 and a molecular weight of 393.43 g/mol. Its IUPAC name is 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
PubChem CID46415294
Molecular FormulaC21H25F2NO4
Molecular Weight393.43 g/mol
Exact Mass393.18
IUPAC Name2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
SMILESCOc1cc(C(C)NC(=O)COc2ccc(F)cc2F)ccc1OCC(C)C
InChIInChI=1S/C21H25F2NO4/c1-13(2)11-27-19-7-5-15(9-20(19)26-4)14(3)24-21(25)12-28-18-8-6-16(22)10-17(18)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25)
InChIKeyCYRBGSXPIJAYBT-UHFFFAOYSA-N
XLogP4.26
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 55637736
2-(2-ethoxyphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 46828544
2-(2-ethoxyphenoxy)-N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 9051491
3-amino-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]propanamide
CID 119294135
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]-2-(methylamino)acetamide;hydrochloride
CID 119732105
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
2-(2-tert-butylphenoxy)-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]acetamide
CID 24550111
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 18084333
N-[(1S)-1-(3-fluoro-4-methoxyphenyl)ethyl]-2-phenoxyacetamide
CID 9051371
2-(2,4-difluorophenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856075
2-(4-aminophenyl)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119732092

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The IUPAC name of 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide (CID 46415294) is 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is COc1cc(C(C)NC(=O)COc2ccc(F)cc2F)ccc1OCC(C)C.
What is the InChIKey of 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
The InChIKey is CYRBGSXPIJAYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25F2NO4/c1-13(2)11-27-19-7-5-15(9-20(19)26-4)14(3)24-21(25)12-28-18-8-6-16(22)10-17(18)23/h5-10,13-14H,11-12H2,1-4H3,(H,24,25).
What are the key properties of 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide?
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide has a molecular weight of 393.43 g/mol, XLogP of 4.26, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide is sourced from PubChem (CID 46415294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).