methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

C14H15ClF3NO6 — CID 4765003

IUPACmethyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SMILESCOC(=O)C(O)(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C(F)(F)F
InChIInChI=1S/C14H15ClF3NO6/c1-23-9-5-10(24-2)8(4-7(9)15)19-11(20)6-13(22,12(21)25-3)14(16,17)18/h4-5,22H,6H2,1-3H3,(H,19,20)
InChIKeyGXIPSDFDGDVKMJ-UHFFFAOYSA-N
MW385.72 g/mol
LogP2.15
Rot. Bonds6

About methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate

methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate (PubChem CID 4765003) has the molecular formula C14H15ClF3NO6 and a molecular weight of 385.72 g/mol. Its IUPAC name is methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate.

Molecular Properties

Compound Namemethyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
PubChem CID4765003
Molecular FormulaC14H15ClF3NO6
Molecular Weight385.72 g/mol
Exact Mass385.05
IUPAC Namemethyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
SMILESCOC(=O)C(O)(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C(F)(F)F
InChIInChI=1S/C14H15ClF3NO6/c1-23-9-5-10(24-2)8(4-7(9)15)19-11(20)6-13(22,12(21)25-3)14(16,17)18/h4-5,22H,6H2,1-3H3,(H,19,20)
InChIKeyGXIPSDFDGDVKMJ-UHFFFAOYSA-N
XLogP2.15
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.72
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate with MolForge

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Related Compounds

ethyl 2-hydroxy-4-(2-methoxy-5-methylanilino)-4-oxo-2-(trifluoromethyl)butanoate
CID 19578934
2-amino-N-(5-chloro-2,4-dimethoxyphenyl)acetamide
CID 24690060
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
methyl N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 17173078
methyl 4-(3-chloro-4-methylanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate
CID 5235209
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-2-methylpropanoate
CID 104643699
N-(5-chloro-2,4-dimethoxyphenyl)-2-propan-2-yloxyacetamide
CID 47410572
3-amino-N-(5-chloro-2,4-dimethoxyphenyl)butanamide
CID 60836807
N-(5-chloro-2,4-dimethoxyphenyl)-2-(4-chlorophenoxy)acetamide
CID 7924033
methyl 3-(5-chloro-2,4-dimethoxyanilino)-2,2-dimethylpropanoate
CID 79629813
N-(5-chloro-2,4-dimethoxyphenyl)-3-(4-chlorophenyl)sulfanylpropanamide
CID 23804473
N-(5-chloro-2,4-dimethoxyphenyl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 26877145

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The IUPAC name of methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate (CID 4765003) is methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate.
What is the SMILES notation for methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The canonical SMILES for methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is COC(=O)C(O)(CC(=O)Nc1cc(Cl)c(OC)cc1OC)C(F)(F)F.
What is the InChIKey of methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
The InChIKey is GXIPSDFDGDVKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF3NO6/c1-23-9-5-10(24-2)8(4-7(9)15)19-11(20)6-13(22,12(21)25-3)14(16,17)18/h4-5,22H,6H2,1-3H3,(H,19,20).
What are the key properties of methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate?
methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate has a molecular weight of 385.72 g/mol, XLogP of 2.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-chloro-2,4-dimethoxyanilino)-2-hydroxy-4-oxo-2-(trifluoromethyl)butanoate is sourced from PubChem (CID 4765003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).