methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate

C17H15Cl2NO4 — CID 7695186

IUPACmethyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2NO4/c1-23-17(22)6-11-2-4-15(5-3-11)24-10-16(21)20-14-8-12(18)7-13(19)9-14/h2-5,7-9H,6,10H2,1H3,(H,20,21)
InChIKeyUOGPQDPENQARKC-UHFFFAOYSA-N
MW368.22 g/mol
LogP3.73
Rot. Bonds6

About methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate

methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate (PubChem CID 7695186) has the molecular formula C17H15Cl2NO4 and a molecular weight of 368.22 g/mol. Its IUPAC name is methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
PubChem CID7695186
Molecular FormulaC17H15Cl2NO4
Molecular Weight368.22 g/mol
Exact Mass367.04
IUPAC Namemethyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate
SMILESCOC(=O)Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1
InChIInChI=1S/C17H15Cl2NO4/c1-23-17(22)6-11-2-4-15(5-3-11)24-10-16(21)20-14-8-12(18)7-13(19)9-14/h2-5,7-9H,6,10H2,1H3,(H,20,21)
InChIKeyUOGPQDPENQARKC-UHFFFAOYSA-N
XLogP3.73
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.22
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[2-(4-ethoxyanilino)-2-oxoethoxy]phenyl]acetate
CID 7695236
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
methyl 2-[4-[2-(4-tert-butylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695156
methyl 2-[4-[2-(4-acetylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695234
methyl 2-[4-[2-(4-chloro-3-nitroanilino)-2-oxoethoxy]phenyl]acetate
CID 7695259
methyl 2-[4-[2-(4-carbamoylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695222
methyl 2-[4-[2-(4-bromo-3-methylanilino)-2-oxoethoxy]phenyl]acetate
CID 7695168
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851
N-(3,5-dichlorophenyl)-2-[4-(3,5-dimethylphenoxy)phenoxy]acetamide
CID 18870439
methyl 2-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethoxy]phenyl]acetate
CID 7695270

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate?
The IUPAC name of methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate (CID 7695186) is methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate.
What is the SMILES notation for methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate?
The canonical SMILES for methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate is COC(=O)Cc1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1.
What is the InChIKey of methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate?
The InChIKey is UOGPQDPENQARKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO4/c1-23-17(22)6-11-2-4-15(5-3-11)24-10-16(21)20-14-8-12(18)7-13(19)9-14/h2-5,7-9H,6,10H2,1H3,(H,20,21).
What are the key properties of methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate?
methyl 2-[4-[2-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate has a molecular weight of 368.22 g/mol, XLogP of 3.73, 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-(3,5-dichloroanilino)-2-oxoethoxy]phenyl]acetate is sourced from PubChem (CID 7695186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).