N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide

C19H22FNO3 — CID 110789806

IUPACN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1cc(C)c(CCNC(=O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H22FNO3/c1-13-10-17(23-2)18(24-3)12-15(13)8-9-21-19(22)11-14-4-6-16(20)7-5-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)
InChIKeySNJGCKVHDJODCT-UHFFFAOYSA-N
MW331.39 g/mol
LogP3.05
Rot. Bonds7

About N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide

N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide (PubChem CID 110789806) has the molecular formula C19H22FNO3 and a molecular weight of 331.39 g/mol. Its IUPAC name is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
PubChem CID110789806
Molecular FormulaC19H22FNO3
Molecular Weight331.39 g/mol
Exact Mass331.16
IUPAC NameN-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide
SMILESCOc1cc(C)c(CCNC(=O)Cc2ccc(F)cc2)cc1OC
InChIInChI=1S/C19H22FNO3/c1-13-10-17(23-2)18(24-3)12-15(13)8-9-21-19(22)11-14-4-6-16(20)7-5-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22)
InChIKeySNJGCKVHDJODCT-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 7336900
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-fluorobenzamide
CID 110789797
2-(4-fluorophenyl)-N-[2-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]acetamide
CID 110789847
N-[2-(2,5-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110788175
2-(3,4-dimethylphenyl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 8911158
N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]-2-(4-methoxyphenyl)acetamide
CID 108538633
N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-(2-methoxyethoxy)acetamide
CID 103747121
1-amino-3-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]urea
CID 115192926
N-[2-(4-methoxyphenyl)ethyl]-2-(2,4,5-trimethoxyphenyl)acetamide
CID 134090189
N-[2-(2,4-difluorophenyl)ethyl]-2-(4-fluorophenyl)acetamide
CID 110789003
N-[2-(4-methoxy-2,5-dimethylphenyl)ethyl]-2-sulfanylacetamide
CID 115167371
2-(5-fluoro-2-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 110767149

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The IUPAC name of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide (CID 110789806) is N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide.
What is the SMILES notation for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The canonical SMILES for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide is COc1cc(C)c(CCNC(=O)Cc2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
The InChIKey is SNJGCKVHDJODCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO3/c1-13-10-17(23-2)18(24-3)12-15(13)8-9-21-19(22)11-14-4-6-16(20)7-5-14/h4-7,10,12H,8-9,11H2,1-3H3,(H,21,22).
What are the key properties of N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide?
N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide has a molecular weight of 331.39 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethoxy-2-methylphenyl)ethyl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 110789806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).