methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate

C10H9F2NO3 — CID 115142279

IUPACmethyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3/c1-13(9(14)10(15)16-2)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3
InChIKeyHITOZUKCQKGAQB-UHFFFAOYSA-N
MW229.18 g/mol
LogP1.10
Rot. Bonds1

About methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate

methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate (PubChem CID 115142279) has the molecular formula C10H9F2NO3 and a molecular weight of 229.18 g/mol. Its IUPAC name is methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
PubChem CID115142279
Molecular FormulaC10H9F2NO3
Molecular Weight229.18 g/mol
Exact Mass229.06
IUPAC Namemethyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
SMILESCOC(=O)C(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C10H9F2NO3/c1-13(9(14)10(15)16-2)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3
InChIKeyHITOZUKCQKGAQB-UHFFFAOYSA-N
XLogP1.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2,4-difluorophenyl)-N-methylcarbamate
CID 67276002
2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
CID 3611810
3-amino-N-(2,4-difluorophenyl)-N,2-dimethylpropanamide
CID 115153564
1-(aminomethyl)-N-(2,4-difluorophenyl)-N-methylcyclopropane-1-carboxamide
CID 115182616
2-cyano-N-(2,4-difluorophenyl)-N,3-dimethylbutanamide
CID 115188569
4-amino-N-(2,4-difluorophenyl)-N-methylcyclohexane-1-carboxamide
CID 115150554
N-(4-fluoro-2-methoxyphenyl)-N-methylacetamide
CID 134094138
4-butoxy-N-(2,4-difluorophenyl)-N-methylbenzamide
CID 71458389
N-(2,4-difluorophenyl)-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184003
ethyl 2-(2,4-difluoro-N-methylanilino)acetate
CID 115257298
5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
CID 139533695
3-(N-acetyl-2,4-difluoroanilino)propanoic acid
CID 28764816

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate?
The IUPAC name of methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate (CID 115142279) is methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate.
What is the SMILES notation for methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate?
The canonical SMILES for methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate is COC(=O)C(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate?
The InChIKey is HITOZUKCQKGAQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO3/c1-13(9(14)10(15)16-2)8-4-3-6(11)5-7(8)12/h3-5H,1-2H3.
What are the key properties of methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate?
methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate has a molecular weight of 229.18 g/mol, XLogP of 1.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate is sourced from PubChem (CID 115142279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).