2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide

C17H16Cl3NO2 — CID 176957189

IUPAC2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide
SMILESCCOc1ccc(-c2ccc(Cl)c(CC(=O)NC)c2Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO2/c1-3-23-15-7-4-10(8-14(15)19)11-5-6-13(18)12(17(11)20)9-16(22)21-2/h4-8H,3,9H2,1-2H3,(H,21,22)
InChIKeyBFUDHVNDUWRBJT-UHFFFAOYSA-N
MW372.68 g/mol
LogP5.00
Rot. Bonds5

About 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide

2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide (PubChem CID 176957189) has the molecular formula C17H16Cl3NO2 and a molecular weight of 372.68 g/mol. Its IUPAC name is 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide.

Molecular Properties

Compound Name2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide
PubChem CID176957189
Molecular FormulaC17H16Cl3NO2
Molecular Weight372.68 g/mol
Exact Mass371.02
IUPAC Name2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide
SMILESCCOc1ccc(-c2ccc(Cl)c(CC(=O)NC)c2Cl)cc1Cl
InChIInChI=1S/C17H16Cl3NO2/c1-3-23-15-7-4-10(8-14(15)19)11-5-6-13(18)12(17(11)20)9-16(22)21-2/h4-8H,3,9H2,1-2H3,(H,21,22)
InChIKeyBFUDHVNDUWRBJT-UHFFFAOYSA-N
XLogP5.00
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.68
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-chloro-4-phenylphenoxy)-N-methylacetamide
CID 17466417
methanamine;methyl 3-chloro-4-ethoxybenzoate
CID 23512246
N-(2-aminoethyl)-2-(3-chloro-4-ethoxyphenyl)acetamide
CID 95464919
1-[(3-chloro-4-ethoxyphenyl)methyl]-1,3-dimethylurea
CID 115169236
3-chloro-4-ethoxybenzoate
CID 6927202
2-chloro-2-(3-chloro-4-ethoxyphenyl)acetic acid
CID 82296775
1-amino-1-(3-chloro-4-ethoxyphenyl)propan-2-one
CID 116859678
6-(3-chloro-4-ethoxyphenyl)pyrimidine-4-carboxylic acid
CID 95482943
6-(3-chloro-4-ethoxyphenyl)-N-methyl-1,2,4-triazin-5-amine
CID 116823171
N-[(3-chloro-4-ethoxyphenyl)methyl]-2-hydroxyacetamide
CID 115139828
5-(3-chloro-4-ethoxyphenyl)-N-methyl-1H-pyrazol-3-amine
CID 116827239
5-(3-chloro-4-ethoxyphenyl)-5-(methylamino)pentan-2-one
CID 116956177

Frequently Asked Questions

What is the IUPAC name of 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide?
The IUPAC name of 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide (CID 176957189) is 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide.
What is the SMILES notation for 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide?
The canonical SMILES for 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide is CCOc1ccc(-c2ccc(Cl)c(CC(=O)NC)c2Cl)cc1Cl.
What is the InChIKey of 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide?
The InChIKey is BFUDHVNDUWRBJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl3NO2/c1-3-23-15-7-4-10(8-14(15)19)11-5-6-13(18)12(17(11)20)9-16(22)21-2/h4-8H,3,9H2,1-2H3,(H,21,22).
What are the key properties of 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide?
2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide has a molecular weight of 372.68 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,6-dichloro-3-(3-chloro-4-ethoxyphenyl)phenyl]-N-methylacetamide is sourced from PubChem (CID 176957189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).