[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate

C17H15Cl2NO5 — CID 2489330

IUPAC[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H15Cl2NO5/c1-23-13-3-4-15(24-2)14(8-13)20-16(21)9-25-17(22)10-5-11(18)7-12(19)6-10/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyKYAHRANADBOUSE-UHFFFAOYSA-N
MW384.22 g/mol
LogP3.81
Rot. Bonds6

About [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate (PubChem CID 2489330) has the molecular formula C17H15Cl2NO5 and a molecular weight of 384.22 g/mol. Its IUPAC name is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate.

Molecular Properties

Compound Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate
PubChem CID2489330
Molecular FormulaC17H15Cl2NO5
Molecular Weight384.22 g/mol
Exact Mass383.03
IUPAC Name[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate
SMILESCOc1ccc(OC)c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1
InChIInChI=1S/C17H15Cl2NO5/c1-23-13-3-4-15(24-2)14(8-13)20-16(21)9-25-17(22)10-5-11(18)7-12(19)6-10/h3-8H,9H2,1-2H3,(H,20,21)
InChIKeyKYAHRANADBOUSE-UHFFFAOYSA-N
XLogP3.81
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3-chloro-4-fluorobenzoate
CID 46859587
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-ditert-butylbenzoate
CID 2632423
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-carbamoylbenzoate
CID 30799809
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,6-dimethoxybenzoate
CID 2515970
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-ethoxy-3-methoxybenzoate
CID 2501283
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 5-chlorothiophene-2-carboxylate
CID 7146845
[2-(2,5-dimethoxyanilino)-2-oxoethyl] propanoate
CID 2086138
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 2,3-dihydro-1,4-dioxine-5-carboxylate
CID 2583998
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 4-[2-(3-methoxyanilino)-2-oxoethoxy]benzoate
CID 16538970
[2-(5-chloro-2-methoxyanilino)-2-oxoethyl] 4-(hydroxymethyl)benzoate
CID 2538476
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 1H-pyrrole-2-carboxylate
CID 8544216
N-(2,5-dimethoxyphenyl)-2-(4-methoxyphenoxy)acetamide
CID 676177

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate?
The IUPAC name of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate (CID 2489330) is [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate.
What is the SMILES notation for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate?
The canonical SMILES for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate is COc1ccc(OC)c(NC(=O)COC(=O)c2cc(Cl)cc(Cl)c2)c1.
What is the InChIKey of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate?
The InChIKey is KYAHRANADBOUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2NO5/c1-23-13-3-4-15(24-2)14(8-13)20-16(21)9-25-17(22)10-5-11(18)7-12(19)6-10/h3-8H,9H2,1-2H3,(H,20,21).
What are the key properties of [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate?
[2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate has a molecular weight of 384.22 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethoxyanilino)-2-oxoethyl] 3,5-dichlorobenzoate is sourced from PubChem (CID 2489330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).