N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide

C19H21Cl2NO2 — CID 55583785

IUPACN-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
SMILESCCOc1ccc(CC(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-4-24-16-8-5-14(6-9-16)11-19(23)22(3)13(2)17-10-7-15(20)12-18(17)21/h5-10,12-13H,4,11H2,1-3H3
InChIKeyLWBDMADXHOEHKZ-UHFFFAOYSA-N
MW366.29 g/mol
LogP5.15
Rot. Bonds6

About N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide

N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide (PubChem CID 55583785) has the molecular formula C19H21Cl2NO2 and a molecular weight of 366.29 g/mol. Its IUPAC name is N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
PubChem CID55583785
Molecular FormulaC19H21Cl2NO2
Molecular Weight366.29 g/mol
Exact Mass365.09
IUPAC NameN-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide
SMILESCCOc1ccc(CC(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H21Cl2NO2/c1-4-24-16-8-5-14(6-9-16)11-19(23)22(3)13(2)17-10-7-15(20)12-18(17)21/h5-10,12-13H,4,11H2,1-3H3
InChIKeyLWBDMADXHOEHKZ-UHFFFAOYSA-N
XLogP5.15
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.29
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-cyanophenoxy)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 55584400
2-(2-chlorophenyl)-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide
CID 13268038
N-[1-(2,4-dichlorophenyl)ethyl]-N-methyl-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 115949740
ethyl 4-[1-(2,4-dichlorophenyl)ethyl-methylamino]-4-oxobutanoate
CID 60735485
5-[1-(2,4-dichlorophenyl)ethyl-methylamino]-3-methyl-5-oxopentanoic acid
CID 62963870
2-amino-N-[1-(2,4-dichlorophenyl)ethyl]-N-methylbutanamide
CID 54870634
2-(4-chlorophenyl)-N-(1-hydroxypropan-2-yl)-N-methylacetamide
CID 115765069
2-(4-ethoxyphenyl)-N-methylacetohydrazide
CID 116844790
2-hydroxyethyl N-[1-(2,4-dichlorophenyl)ethyl]-N-methylcarbamate
CID 79345570
2-(4-aminophenyl)-N-[1-(2-chlorophenyl)ethyl]-N-methylacetamide
CID 60939540
2-(2,4-dichlorophenyl)-1-(4-ethoxyphenyl)ethanone
CID 63411878
1-(3-chlorophenyl)-3-(4-ethoxyphenyl)propan-2-one
CID 160743343

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide?
The IUPAC name of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide (CID 55583785) is N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide.
What is the SMILES notation for N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide?
The canonical SMILES for N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide is CCOc1ccc(CC(=O)N(C)C(C)c2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide?
The InChIKey is LWBDMADXHOEHKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2NO2/c1-4-24-16-8-5-14(6-9-16)11-19(23)22(3)13(2)17-10-7-15(20)12-18(17)21/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide?
N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide has a molecular weight of 366.29 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,4-dichlorophenyl)ethyl]-2-(4-ethoxyphenyl)-N-methylacetamide is sourced from PubChem (CID 55583785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).