ethyl 2-(2,4-difluoro-N-methylanilino)acetate

C11H13F2NO2 — CID 115257298

IUPACethyl 2-(2,4-difluoro-N-methylanilino)acetate
SMILESCCOC(=O)CN(C)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)7-14(2)10-5-4-8(12)6-9(10)13/h4-6H,3,7H2,1-2H3
InChIKeyJKSUAPWZADJZCB-UHFFFAOYSA-N
MW229.23 g/mol
LogP1.96
Rot. Bonds4

About ethyl 2-(2,4-difluoro-N-methylanilino)acetate

ethyl 2-(2,4-difluoro-N-methylanilino)acetate (PubChem CID 115257298) has the molecular formula C11H13F2NO2 and a molecular weight of 229.23 g/mol. Its IUPAC name is ethyl 2-(2,4-difluoro-N-methylanilino)acetate.

Molecular Properties

Compound Nameethyl 2-(2,4-difluoro-N-methylanilino)acetate
PubChem CID115257298
Molecular FormulaC11H13F2NO2
Molecular Weight229.23 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-(2,4-difluoro-N-methylanilino)acetate
SMILESCCOC(=O)CN(C)c1ccc(F)cc1F
InChIInChI=1S/C11H13F2NO2/c1-3-16-11(15)7-14(2)10-5-4-8(12)6-9(10)13/h4-6H,3,7H2,1-2H3
InChIKeyJKSUAPWZADJZCB-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(N-(4-chlorophenyl)sulfonyl-2,4-difluoroanilino)acetate
CID 50892875
ethyl 2-[[(1R)-1-(2,5-difluorophenyl)ethyl]-methylamino]acetate
CID 94417360
ethyl 2-[2-chloro-N-methyl-4-(trifluoromethyl)anilino]acetate
CID 91410981
ethyl 2-[(4-fluorobenzoyl)-methylamino]acetate
CID 54785133
ethyl 2-(N-ethyl-4-fluoro-2-nitroanilino)acetate
CID 62005884
ethyl 2-[N-methyl-2-nitro-4-(trifluoromethyl)anilino]acetate
CID 23255854
ethyl 2-[N-(difluoromethyl)-4-fluoro-2-nitroanilino]acetate
CID 75492676
ethyl 2-(2-carbamothioyl-N-cyclopropyl-4-fluoroanilino)acetate
CID 63672880
ethyl 2-[(2,5-difluorophenyl)methyl-prop-2-enylamino]acetate
CID 78977833
2-(2-ethyl-4-fluoro-N-methylanilino)acetic acid
CID 145054676
ethyl 2-[ethyl-(5-fluoro-2-methylbenzoyl)amino]acetate
CID 61073584
ethyl N-[(2,4-difluorophenyl)methyl]-N-methylcarbamate
CID 60725198

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,4-difluoro-N-methylanilino)acetate?
The IUPAC name of ethyl 2-(2,4-difluoro-N-methylanilino)acetate (CID 115257298) is ethyl 2-(2,4-difluoro-N-methylanilino)acetate.
What is the SMILES notation for ethyl 2-(2,4-difluoro-N-methylanilino)acetate?
The canonical SMILES for ethyl 2-(2,4-difluoro-N-methylanilino)acetate is CCOC(=O)CN(C)c1ccc(F)cc1F.
What is the InChIKey of ethyl 2-(2,4-difluoro-N-methylanilino)acetate?
The InChIKey is JKSUAPWZADJZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO2/c1-3-16-11(15)7-14(2)10-5-4-8(12)6-9(10)13/h4-6H,3,7H2,1-2H3.
What are the key properties of ethyl 2-(2,4-difluoro-N-methylanilino)acetate?
ethyl 2-(2,4-difluoro-N-methylanilino)acetate has a molecular weight of 229.23 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,4-difluoro-N-methylanilino)acetate is sourced from PubChem (CID 115257298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).