3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide

C20H22Cl2N2O4 — CID 31186118

IUPAC3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1OCC
InChIInChI=1S/C20H22Cl2N2O4/c1-4-27-17-7-6-16(11-18(17)28-5-2)23-19(25)12-24(3)20(26)13-8-14(21)10-15(22)9-13/h6-11H,4-5,12H2,1-3H3,(H,23,25)
InChIKeyCJDJRLOWWAWGPK-UHFFFAOYSA-N
MW425.31 g/mol
LogP4.50
Rot. Bonds8

About 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide

3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide (PubChem CID 31186118) has the molecular formula C20H22Cl2N2O4 and a molecular weight of 425.31 g/mol. Its IUPAC name is 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
PubChem CID31186118
Molecular FormulaC20H22Cl2N2O4
Molecular Weight425.31 g/mol
Exact Mass424.10
IUPAC Name3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
SMILESCCOc1ccc(NC(=O)CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1OCC
InChIInChI=1S/C20H22Cl2N2O4/c1-4-27-17-7-6-16(11-18(17)28-5-2)23-19(25)12-24(3)20(26)13-8-14(21)10-15(22)9-13/h6-11H,4-5,12H2,1-3H3,(H,23,25)
InChIKeyCJDJRLOWWAWGPK-UHFFFAOYSA-N
XLogP4.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.31
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyano-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 8501398
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methyl-4-(trifluoromethylsulfanyl)benzamide
CID 46628154
2-bromo-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide
CID 2475779
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,4-trimethylbenzamide
CID 31186182
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2,3-trimethylbenzamide
CID 43010376
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,5-dimethylfuran-2-carboxamide
CID 2650227
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylhexanamide
CID 43007494
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N,2-dimethylcyclopropane-1-carboxamide
CID 25162519
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
3,4-diethoxy-N-[2-(3-ethynylanilino)-2-oxoethyl]-N-methylbenzamide
CID 55835265
N-(3,4-diethoxyphenyl)-2-[[2-(3,4-difluoroanilino)-2-oxoethyl]-methylamino]acetamide
CID 2658514
N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-4-(4-ethylphenyl)-N-methyl-4-oxobutanamide
CID 30808188

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The IUPAC name of 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide (CID 31186118) is 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide is CCOc1ccc(NC(=O)CN(C)C(=O)c2cc(Cl)cc(Cl)c2)cc1OCC.
What is the InChIKey of 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
The InChIKey is CJDJRLOWWAWGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22Cl2N2O4/c1-4-27-17-7-6-16(11-18(17)28-5-2)23-19(25)12-24(3)20(26)13-8-14(21)10-15(22)9-13/h6-11H,4-5,12H2,1-3H3,(H,23,25).
What are the key properties of 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide?
3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide has a molecular weight of 425.31 g/mol, XLogP of 4.50, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylbenzamide is sourced from PubChem (CID 31186118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).