[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate

C17H14Cl3NO4 — CID 7803716

IUPAC[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Cl)c1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3NO4/c18-12-2-1-3-14(6-12)24-10-17(23)25-9-16(22)21-8-11-4-5-13(19)7-15(11)20/h1-7H,8-10H2,(H,21,22)
InChIKeyADGCXCNQLPAALA-UHFFFAOYSA-N
MW402.66 g/mol
LogP3.89
Rot. Bonds7

About [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate

[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate (PubChem CID 7803716) has the molecular formula C17H14Cl3NO4 and a molecular weight of 402.66 g/mol. Its IUPAC name is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
PubChem CID7803716
Molecular FormulaC17H14Cl3NO4
Molecular Weight402.66 g/mol
Exact Mass401.00
IUPAC Name[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate
SMILESO=C(COC(=O)COc1cccc(Cl)c1)NCc1ccc(Cl)cc1Cl
InChIInChI=1S/C17H14Cl3NO4/c18-12-2-1-3-14(6-12)24-10-17(23)25-9-16(22)21-8-11-4-5-13(19)7-15(11)20/h1-7H,8-10H2,(H,21,22)
InChIKeyADGCXCNQLPAALA-UHFFFAOYSA-N
XLogP3.89
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.66
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-methylpropylamino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803778
[2-[(3-chlorophenyl)methylamino]-2-oxoethyl] 2-(2,4-dichlorophenyl)acetate
CID 7762959
[2-(2,6-dichloroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 16512644
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803669
[2-[(4-chlorophenyl)methylamino]-2-oxoethyl] 2-(3-methylphenoxy)acetate
CID 2594688
N-[(2,4-dichlorophenyl)methyl]-2-(3,5-dimethoxyphenoxy)acetamide
CID 7713902
2-(3-chlorophenoxy)-N-[(3-chlorophenyl)methyl]acetamide
CID 2632938
[[2-(2,4-dichlorophenyl)acetyl]amino] 2-phenoxyacetate
CID 146175960
(2,4-dichlorophenyl)methyl 2-(3-aminophenoxy)acetate
CID 61321528
[2-(5-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 7803923
[2-[(2-chlorophenyl)methylamino]-2-oxoethyl] 2-(3,5-dimethylphenoxy)acetate
CID 8912148
[2-(3-chloro-2-methylanilino)-2-oxoethyl] 2-(3-chlorophenoxy)acetate
CID 40564745

Frequently Asked Questions

What is the IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The IUPAC name of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate (CID 7803716) is [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate.
What is the SMILES notation for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The canonical SMILES for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate is O=C(COC(=O)COc1cccc(Cl)c1)NCc1ccc(Cl)cc1Cl.
What is the InChIKey of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
The InChIKey is ADGCXCNQLPAALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Cl3NO4/c18-12-2-1-3-14(6-12)24-10-17(23)25-9-16(22)21-8-11-4-5-13(19)7-15(11)20/h1-7H,8-10H2,(H,21,22).
What are the key properties of [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate?
[2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate has a molecular weight of 402.66 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,4-dichlorophenyl)methylamino]-2-oxoethyl] 2-(3-chlorophenoxy)acetate is sourced from PubChem (CID 7803716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).