methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate

C17H14ClF2NO4 — CID 75452408

IUPACmethyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(F)c1
InChIInChI=1S/C17H14ClF2NO4/c1-24-17(23)7-10-2-5-15(14(20)6-10)25-9-16(22)21-11-3-4-13(19)12(18)8-11/h2-6,8H,7,9H2,1H3,(H,21,22)
InChIKeyAKBMIQJZVANXHD-UHFFFAOYSA-N
MW369.75 g/mol
LogP3.35
Rot. Bonds6

About methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate

methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate (PubChem CID 75452408) has the molecular formula C17H14ClF2NO4 and a molecular weight of 369.75 g/mol. Its IUPAC name is methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
PubChem CID75452408
Molecular FormulaC17H14ClF2NO4
Molecular Weight369.75 g/mol
Exact Mass369.06
IUPAC Namemethyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(F)c1
InChIInChI=1S/C17H14ClF2NO4/c1-24-17(23)7-10-2-5-15(14(20)6-10)25-9-16(22)21-11-3-4-13(19)12(18)8-11/h2-6,8H,7,9H2,1H3,(H,21,22)
InChIKeyAKBMIQJZVANXHD-UHFFFAOYSA-N
XLogP3.35
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
2-[4-(aminomethyl)-2-fluorophenoxy]-N-(4-chlorophenyl)acetamide
CID 107686288
N-(3-chloro-4-fluorophenyl)-2-(2-ethoxyphenoxy)acetamide
CID 2578584
N-(3-chloro-4-fluorophenyl)-2-(5-formyl-2-methoxyphenoxy)acetamide
CID 7611560
[2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 2-(3-fluoro-4-methoxyphenyl)acetate
CID 8667266
N-(3-chlorophenyl)-2-[2-fluoro-4-(hydroxymethyl)phenoxy]acetamide
CID 107690723
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] 2-(2-methoxy-4-prop-2-enylphenoxy)acetate
CID 7804153
N-(3-chloro-4-fluorophenyl)-2-phenoxyacetamide
CID 924892
N-(3-chloro-4-fluorophenyl)-2-[2-methoxy-4-(pyrrolidine-1-carbothioyl)phenoxy]acetamide
CID 126246243
methyl 2-[4-[[2-(4-chloro-3,5-dimethylphenoxy)acetyl]amino]phenyl]acetate
CID 17296544
methyl 2-[4-[2-(3,4-dimethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695230
2-(3-bromo-4-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 47293530

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate (CID 75452408) is methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c(F)c1.
What is the InChIKey of methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate?
The InChIKey is AKBMIQJZVANXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClF2NO4/c1-24-17(23)7-10-2-5-15(14(20)6-10)25-9-16(22)21-11-3-4-13(19)12(18)8-11/h2-6,8H,7,9H2,1H3,(H,21,22).
What are the key properties of methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate?
methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate has a molecular weight of 369.75 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[2-(3-chloro-4-fluoroanilino)-2-oxoethoxy]-3-fluorophenyl]acetate is sourced from PubChem (CID 75452408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).