2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide

C10H10FNO2 — CID 82112119

IUPAC2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C10H10FNO2/c1-6-5-7(3-4-8(6)11)9(13)10(14)12-2/h3-5H,1-2H3,(H,12,14)
InChIKeyJHWOVLUUIILCCC-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.06
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide

2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide (PubChem CID 82112119) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
PubChem CID82112119
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide
SMILESCNC(=O)C(=O)c1ccc(F)c(C)c1
InChIInChI=1S/C10H10FNO2/c1-6-5-7(3-4-8(6)11)9(13)10(14)12-2/h3-5H,1-2H3,(H,12,14)
InChIKeyJHWOVLUUIILCCC-UHFFFAOYSA-N
XLogP1.06
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 82113156
2-(4-fluoro-3-methylphenyl)-N-(2-fluorophenyl)-2-oxoacetamide
CID 94283587
N-butyl-2-(4-fluoro-3-methylphenyl)-2-oxoacetamide
CID 94263669
1-(4-fluoro-3-methylphenyl)-2-methylprop-2-en-1-one
CID 79189923
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-dione
CID 82132574
4-fluoro-N,3-dimethylbenzenecarbothioamide
CID 116827662
1-(4-fluoro-3-methylphenyl)-2-(methylamino)ethanone
CID 82075088
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
2-(2,5-difluorophenyl)-N-methyl-2-oxoacetamide
CID 82112280
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955
N-(2-aminocyclopropyl)-4-fluoro-3-methylbenzamide
CID 63214074

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide (CID 82112119) is 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide is CNC(=O)C(=O)c1ccc(F)c(C)c1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide?
The InChIKey is JHWOVLUUIILCCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-6-5-7(3-4-8(6)11)9(13)10(14)12-2/h3-5H,1-2H3,(H,12,14).
What are the key properties of 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide?
2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide has a molecular weight of 195.19 g/mol, XLogP of 1.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-N-methyl-2-oxoacetamide is sourced from PubChem (CID 82112119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).