2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide

C12H16FNO2 — CID 168736985

IUPAC2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1cc(F)cc(OC)c1
InChIInChI=1S/C12H16FNO2/c1-12(2,11(15)14-3)8-5-9(13)7-10(6-8)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyCPKSITNOIKWMPC-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.86
Rot. Bonds3

About 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide

2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide (PubChem CID 168736985) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide.

Molecular Properties

Compound Name2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide
PubChem CID168736985
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide
SMILESCNC(=O)C(C)(C)c1cc(F)cc(OC)c1
InChIInChI=1S/C12H16FNO2/c1-12(2,11(15)14-3)8-5-9(13)7-10(6-8)16-4/h5-7H,1-4H3,(H,14,15)
InChIKeyCPKSITNOIKWMPC-UHFFFAOYSA-N
XLogP1.86
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dimethoxyphenyl)-N-[4-[[2-(3,5-dimethoxyphenyl)-2-methylpropanoyl]amino]phenyl]-2-methylpropanamide
CID 67082899
2-(4-fluorophenyl)-N-(3-methoxyphenyl)-2-methylpropanamide
CID 113197444
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110438737
2-(3-methoxyphenyl)-N',2-dimethylpropanehydrazide
CID 116847236
1-(3-fluoro-5-methoxyphenyl)-3,3-dimethylbutan-1-one
CID 146006763
2-(3-methoxy-5-methylsulfanylphenyl)-2-methylpropanoic acid
CID 142912164
N-(3-fluoro-5-methoxyphenyl)-2-sulfanylacetamide
CID 130500039
N-[1-(4-fluorophenyl)cyclopropyl]-2-(4-methoxyphenyl)-2-methylpropanamide
CID 110446434
N-[(1R,3R)-5-fluoro-2-adamantyl]-2-(3-methoxy-5-methylphenyl)-2-methylpropanamide
CID 59658186
1-[difluoro-(3-fluoro-5-methoxyphenyl)methyl]bicyclo[1.1.1]pentane
CID 171475302
4-(3-fluoro-5-methoxyphenyl)benzoic acid
CID 68930625
N-(3,5-difluorophenyl)-2-methyl-2-phenylpropanamide
CID 47126345

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide?
The IUPAC name of 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide (CID 168736985) is 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide.
What is the SMILES notation for 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide?
The canonical SMILES for 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide is CNC(=O)C(C)(C)c1cc(F)cc(OC)c1.
What is the InChIKey of 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide?
The InChIKey is CPKSITNOIKWMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c1-12(2,11(15)14-3)8-5-9(13)7-10(6-8)16-4/h5-7H,1-4H3,(H,14,15).
What are the key properties of 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide?
2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide has a molecular weight of 225.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-5-methoxyphenyl)-N,2-dimethylpropanamide is sourced from PubChem (CID 168736985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).