methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate

C11H12Cl2FNO2 — CID 83079185

IUPACmethyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(11(16)17-2)5-15-10-8(12)3-7(14)4-9(10)13/h3-4,6,15H,5H2,1-2H3
InChIKeyBDSHEKGGHKXGFL-UHFFFAOYSA-N
MW280.13 g/mol
LogP3.35
Rot. Bonds4

About methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate

methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate (PubChem CID 83079185) has the molecular formula C11H12Cl2FNO2 and a molecular weight of 280.13 g/mol. Its IUPAC name is methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
PubChem CID83079185
Molecular FormulaC11H12Cl2FNO2
Molecular Weight280.13 g/mol
Exact Mass279.02
IUPAC Namemethyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate
SMILESCOC(=O)C(C)CNc1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C11H12Cl2FNO2/c1-6(11(16)17-2)5-15-10-8(12)3-7(14)4-9(10)13/h3-4,6,15H,5H2,1-2H3
InChIKeyBDSHEKGGHKXGFL-UHFFFAOYSA-N
XLogP3.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.13
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-3-(2,3,4,5,6-pentafluoroanilino)propanoate
CID 115564408
methyl 3-(2,6-dichloro-4-fluoroanilino)propanoate
CID 83079052
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-methylpropanoate
CID 43538463
methyl 3-(3-chloro-4-methylanilino)-2-methylpropanoate
CID 43538373
methyl 3-(2,6-dimethylanilino)-2-methylpropanoate
CID 82316678
1-(2,6-dichloro-4-fluoroanilino)-3-[(2-methylpropan-2-yl)oxy]propan-2-ol
CID 83077931
methyl 3-(4-bromo-2-chloroanilino)-2-methylpropanoate
CID 43538645
methyl 3-(4-chloro-3-methoxyanilino)-2-methylpropanoate
CID 107621442
ethyl 3-(3-chloro-5-fluoroanilino)-2-methylpropanoate
CID 107364733
N-(2,6-dichloro-4-fluorophenyl)-3-(ethylamino)-2-methylpropanamide
CID 83078688
methyl 3-(2-chloro-4-cyanoanilino)-2-methylpropanoate
CID 114003421
N-[2-(2,6-dichloro-4-fluoroanilino)ethyl]acetamide
CID 107529850

Frequently Asked Questions

What is the IUPAC name of methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate?
The IUPAC name of methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate (CID 83079185) is methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate.
What is the SMILES notation for methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate?
The canonical SMILES for methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate is COC(=O)C(C)CNc1c(Cl)cc(F)cc1Cl.
What is the InChIKey of methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate?
The InChIKey is BDSHEKGGHKXGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2FNO2/c1-6(11(16)17-2)5-15-10-8(12)3-7(14)4-9(10)13/h3-4,6,15H,5H2,1-2H3.
What are the key properties of methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate?
methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate has a molecular weight of 280.13 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(2,6-dichloro-4-fluoroanilino)-2-methylpropanoate is sourced from PubChem (CID 83079185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).