2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide

C18H20FNO2 — CID 139020691

IUPAC2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cc2cc(C)cc(C)c2)cc1F
InChIInChI=1S/C18H20FNO2/c1-12-7-13(2)9-14(8-12)10-18(21)20(3)15-5-6-17(22-4)16(19)11-15/h5-9,11H,10H2,1-4H3
InChIKeyDIKWMVBZSDEAOL-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.66
Rot. Bonds4

About 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide

2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide (PubChem CID 139020691) has the molecular formula C18H20FNO2 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
PubChem CID139020691
Molecular FormulaC18H20FNO2
Molecular Weight301.36 g/mol
Exact Mass301.15
IUPAC Name2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide
SMILESCOc1ccc(N(C)C(=O)Cc2cc(C)cc(C)c2)cc1F
InChIInChI=1S/C18H20FNO2/c1-12-7-13(2)9-14(8-12)10-18(21)20(3)15-5-6-17(22-4)16(19)11-15/h5-9,11H,10H2,1-4H3
InChIKeyDIKWMVBZSDEAOL-UHFFFAOYSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(3-fluoro-4-methoxyphenyl)-N,3-dimethylbutanamide
CID 115154887
4-amino-N-(3-fluoro-4-methoxyphenyl)-N,3,3-trimethylbutanamide
CID 115157259
1-(3-fluoro-4-methoxyphenyl)-1,3-dimethylurea
CID 115168962
N-(3-fluoro-4-methoxyphenyl)-2-hydroxy-N,2-dimethylpropanamide
CID 115178621
1-(3-fluoro-4-methoxy-N-methylanilino)propan-2-one
CID 115234535
1-(3,5-dimethylphenyl)-2-(3-fluoro-4-methoxyphenyl)ethanone
CID 114966135
2-(3-fluoro-4-methoxyphenyl)-N-(2-hydroxypropyl)-N-methylacetamide
CID 62334421
2-chloro-N-(4-ethoxy-3-fluorophenyl)-N-methylacetamide
CID 115161900
N-(3,4-dimethoxyphenyl)-N-methyl-2-(4-morpholin-4-ylphenyl)acetamide
CID 110612863
N-(3-fluoro-4-methoxyphenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115183989
N-(3-fluoro-4-methoxyphenyl)-N-methylpiperidine-4-carboxamide
CID 115159991
3-fluoro-N-(4-fluorophenyl)-4-methoxy-N-methylbenzamide
CID 87027852

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The IUPAC name of 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide (CID 139020691) is 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide.
What is the SMILES notation for 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The canonical SMILES for 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide is COc1ccc(N(C)C(=O)Cc2cc(C)cc(C)c2)cc1F.
What is the InChIKey of 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
The InChIKey is DIKWMVBZSDEAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO2/c1-12-7-13(2)9-14(8-12)10-18(21)20(3)15-5-6-17(22-4)16(19)11-15/h5-9,11H,10H2,1-4H3.
What are the key properties of 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide?
2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide has a molecular weight of 301.36 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylphenyl)-N-(3-fluoro-4-methoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 139020691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).