methyl N-(2,4-difluorophenyl)-N-methylcarbamate

C9H9F2NO2 — CID 67276002

IUPACmethyl N-(2,4-difluorophenyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-12(9(13)14-2)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKeyRFKCMLSZUIQZDP-UHFFFAOYSA-N
MW201.17 g/mol
LogP2.17
Rot. Bonds1

About methyl N-(2,4-difluorophenyl)-N-methylcarbamate

methyl N-(2,4-difluorophenyl)-N-methylcarbamate (PubChem CID 67276002) has the molecular formula C9H9F2NO2 and a molecular weight of 201.17 g/mol. Its IUPAC name is methyl N-(2,4-difluorophenyl)-N-methylcarbamate.

Molecular Properties

Compound Namemethyl N-(2,4-difluorophenyl)-N-methylcarbamate
PubChem CID67276002
Molecular FormulaC9H9F2NO2
Molecular Weight201.17 g/mol
Exact Mass201.06
IUPAC Namemethyl N-(2,4-difluorophenyl)-N-methylcarbamate
SMILESCOC(=O)N(C)c1ccc(F)cc1F
InChIInChI=1S/C9H9F2NO2/c1-12(9(13)14-2)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3
InChIKeyRFKCMLSZUIQZDP-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.17
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,4-difluoro-N-methylanilino)-2-oxoacetate
CID 115142279
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
tert-butyl N-(4-fluoro-2-methylphenyl)-N-methylcarbamate
CID 150785471
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
2-cyano-N-(2,4-difluorophenyl)-3-(dimethylamino)-N-methylprop-2-enamide
CID 3611810
ethyl 2-(2,4-difluoro-N-methylanilino)acetate
CID 115257298
5-amino-N-(2,4-difluorophenyl)-N,2-dimethylthiophene-3-carboxamide
CID 139533695

Frequently Asked Questions

What is the IUPAC name of methyl N-(2,4-difluorophenyl)-N-methylcarbamate?
The IUPAC name of methyl N-(2,4-difluorophenyl)-N-methylcarbamate (CID 67276002) is methyl N-(2,4-difluorophenyl)-N-methylcarbamate.
What is the SMILES notation for methyl N-(2,4-difluorophenyl)-N-methylcarbamate?
The canonical SMILES for methyl N-(2,4-difluorophenyl)-N-methylcarbamate is COC(=O)N(C)c1ccc(F)cc1F.
What is the InChIKey of methyl N-(2,4-difluorophenyl)-N-methylcarbamate?
The InChIKey is RFKCMLSZUIQZDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO2/c1-12(9(13)14-2)8-4-3-6(10)5-7(8)11/h3-5H,1-2H3.
What are the key properties of methyl N-(2,4-difluorophenyl)-N-methylcarbamate?
methyl N-(2,4-difluorophenyl)-N-methylcarbamate has a molecular weight of 201.17 g/mol, XLogP of 2.17, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,4-difluorophenyl)-N-methylcarbamate is sourced from PubChem (CID 67276002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).