2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide

C22H21Cl4NO6 — CID 155815172

IUPAC2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C22H21Cl4NO6/c1-10-8-12(9-11(2)17(10)32-4)16(28)13-6-7-14(31-3)15(18(13)33-5)27(21(29)19(23)24)22(30)20(25)26/h6-9,19-20H,1-5H3
InChIKeyDASCYEOOVZMXDS-UHFFFAOYSA-N
MW537.22 g/mol
LogP5.03
Rot. Bonds8

About 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide

2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide (PubChem CID 155815172) has the molecular formula C22H21Cl4NO6 and a molecular weight of 537.22 g/mol. Its IUPAC name is 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide.

Molecular Properties

Compound Name2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide
PubChem CID155815172
Molecular FormulaC22H21Cl4NO6
Molecular Weight537.22 g/mol
Exact Mass535.01
IUPAC Name2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide
SMILESCOc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl
InChIInChI=1S/C22H21Cl4NO6/c1-10-8-12(9-11(2)17(10)32-4)16(28)13-6-7-14(31-3)15(18(13)33-5)27(21(29)19(23)24)22(30)20(25)26/h6-9,19-20H,1-5H3
InChIKeyDASCYEOOVZMXDS-UHFFFAOYSA-N
XLogP5.03
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.22
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(4-hydroxy-3,5-dimethoxyphenyl)-(3-hydroxy-2-methoxy-4-methylphenyl)methanone
CID 159246346
(3,4-dimethylphenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103435101
(4-chloro-2-fluorophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057194
(3-fluoro-4-methoxyphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044007
(3-bromo-2,4-dimethoxyphenyl)-(3,5-dibromophenyl)methanone
CID 107977574
(3-amino-4-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83068741
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(4-methoxy-3,5-dimethylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 83043829
(4-bromophenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 2756951
(3-bromo-2,4-dimethoxyphenyl)-(5-methyl-3-pyridinyl)methanone
CID 103524405
(3,4-dimethylphenyl)-(2-methoxyphenyl)methanone
CID 24722768
(4-fluorophenyl)-(2,3,4-trimethoxyphenyl)methanone
CID 43588922

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide?
The IUPAC name of 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide (CID 155815172) is 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide.
What is the SMILES notation for 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide?
The canonical SMILES for 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide is COc1ccc(C(=O)c2cc(C)c(OC)c(C)c2)c(OC)c1N(C(=O)C(Cl)Cl)C(=O)C(Cl)Cl.
What is the InChIKey of 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide?
The InChIKey is DASCYEOOVZMXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21Cl4NO6/c1-10-8-12(9-11(2)17(10)32-4)16(28)13-6-7-14(31-3)15(18(13)33-5)27(21(29)19(23)24)22(30)20(25)26/h6-9,19-20H,1-5H3.
What are the key properties of 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide?
2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide has a molecular weight of 537.22 g/mol, XLogP of 5.03, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-N-(2,2-dichloroacetyl)-N-[2,6-dimethoxy-3-(4-methoxy-3,5-dimethylbenzoyl)phenyl]acetamide is sourced from PubChem (CID 155815172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).