N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide

C18H19F2NO3 — CID 18084333

IUPACN-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO3/c1-11-4-7-16(17(8-11)23-3)24-10-18(22)21-12(2)13-5-6-14(19)15(20)9-13/h4-9,12H,10H2,1-3H3,(H,21,22)
InChIKeyGINZBWWRXXOSML-UHFFFAOYSA-N
MW335.35 g/mol
LogP3.54
Rot. Bonds6

About N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide

N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (PubChem CID 18084333) has the molecular formula C18H19F2NO3 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.

Molecular Properties

Compound NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
PubChem CID18084333
Molecular FormulaC18H19F2NO3
Molecular Weight335.35 g/mol
Exact Mass335.13
IUPAC NameN-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
SMILESCOc1cc(C)ccc1OCC(=O)NC(C)c1ccc(F)c(F)c1
InChIInChI=1S/C18H19F2NO3/c1-11-4-7-16(17(8-11)23-3)24-10-18(22)21-12(2)13-5-6-14(19)15(20)9-13/h4-9,12H,10H2,1-3H3,(H,21,22)
InChIKeyGINZBWWRXXOSML-UHFFFAOYSA-N
XLogP3.54
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(3,4-difluorophenyl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 8795085
N-[1-(4-fluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 17415328
N-[1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 55748572
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2-ethoxyphenoxy)acetamide
CID 8795097
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(3-methylphenoxy)acetamide
CID 18200818
4-(2-amino-2-oxoethoxy)-N-[1-(3,4-difluorophenyl)ethyl]-3-methoxybenzamide
CID 134013102
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
2-(2,4-dichlorophenoxy)-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 94050777
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-(4-methoxyphenoxy)acetamide
CID 18118290
N-[(1R)-1-(3-bromo-4-methoxyphenyl)ethyl]-2-(2-chloro-5-methylphenoxy)acetamide
CID 8963184
2-(2,4-difluorophenoxy)-N-[1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 46415294

Frequently Asked Questions

What is the IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The IUPAC name of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide (CID 18084333) is N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide.
What is the SMILES notation for N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The canonical SMILES for N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is COc1cc(C)ccc1OCC(=O)NC(C)c1ccc(F)c(F)c1.
What is the InChIKey of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
The InChIKey is GINZBWWRXXOSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2NO3/c1-11-4-7-16(17(8-11)23-3)24-10-18(22)21-12(2)13-5-6-14(19)15(20)9-13/h4-9,12H,10H2,1-3H3,(H,21,22).
What are the key properties of N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide?
N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide has a molecular weight of 335.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,4-difluorophenyl)ethyl]-2-(2-methoxy-4-methylphenoxy)acetamide is sourced from PubChem (CID 18084333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).