2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

C20H22Cl2N2O5 — CID 5135119

IUPAC2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C20H22Cl2N2O5/c1-27-16-7-6-13(10-17(16)28-2)8-9-23-18(25)11-29-12-19(26)24-15-5-3-4-14(21)20(15)22/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFFRADJMVBXLAPW-UHFFFAOYSA-N
MW441.31 g/mol
LogP3.32
Rot. Bonds10

About 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide

2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (PubChem CID 5135119) has the molecular formula C20H22Cl2N2O5 and a molecular weight of 441.31 g/mol. Its IUPAC name is 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
PubChem CID5135119
Molecular FormulaC20H22Cl2N2O5
Molecular Weight441.31 g/mol
Exact Mass440.09
IUPAC Name2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(CCNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1OC
InChIInChI=1S/C20H22Cl2N2O5/c1-27-16-7-6-13(10-17(16)28-2)8-9-23-18(25)11-29-12-19(26)24-15-5-3-4-14(21)20(15)22/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,25)(H,24,26)
InChIKeyFFRADJMVBXLAPW-UHFFFAOYSA-N
XLogP3.32
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.31
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-2-[2-(2,4-dimethoxyanilino)-2-oxoethoxy]acetamide
CID 3910876
2-(3-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 10496902
2-(2,6-dimethoxyphenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 2494853
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(2-methoxyphenoxy)acetamide
CID 748754
2-(2,4-dichlorophenoxy)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 1101338
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(2-propan-2-ylphenyl)propanediamide
CID 108949731
N'-[(Z)-[3-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 126170410
N'-[2-(3,4-dichlorophenyl)ethyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanediamide
CID 19860206
3-(2,6-dichlorophenyl)-N-[3-(3,4-dimethoxyphenyl)propyl]propanamide
CID 100603372
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-iodophenoxy)acetamide
CID 34578953
N-[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl iodide
CID 163923195
N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide;trihydrate
CID 70552532

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide (CID 5135119) is 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is COc1ccc(CCNC(=O)COCC(=O)Nc2cccc(Cl)c2Cl)cc1OC.
What is the InChIKey of 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
The InChIKey is FFRADJMVBXLAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O5/c1-27-16-7-6-13(10-17(16)28-2)8-9-23-18(25)11-29-12-19(26)24-15-5-3-4-14(21)20(15)22/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,25)(H,24,26).
What are the key properties of 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide?
2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide has a molecular weight of 441.31 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dichloroanilino)-2-oxoethoxy]-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 5135119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).