2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide

C19H22Cl2N2O2 — CID 6363610

IUPAC2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(Cl)c(Cl)c2)N(C)C)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)18(14-5-7-15(25-3)8-6-14)12-22-19(24)11-13-4-9-16(20)17(21)10-13/h4-10,18H,11-12H2,1-3H3,(H,22,24)
InChIKeyPVBZIRUGTAJEDW-UHFFFAOYSA-N
MW381.30 g/mol
LogP3.96
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide

2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide (PubChem CID 6363610) has the molecular formula C19H22Cl2N2O2 and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide
PubChem CID6363610
Molecular FormulaC19H22Cl2N2O2
Molecular Weight381.30 g/mol
Exact Mass380.11
IUPAC Name2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide
SMILESCOc1ccc(C(CNC(=O)Cc2ccc(Cl)c(Cl)c2)N(C)C)cc1
InChIInChI=1S/C19H22Cl2N2O2/c1-23(2)18(14-5-7-15(25-3)8-6-14)12-22-19(24)11-13-4-9-16(20)17(21)10-13/h4-10,18H,11-12H2,1-3H3,(H,22,24)
InChIKeyPVBZIRUGTAJEDW-UHFFFAOYSA-N
XLogP3.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.30
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide (CID 6363610) is 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide is COc1ccc(C(CNC(=O)Cc2ccc(Cl)c(Cl)c2)N(C)C)cc1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide?
The InChIKey is PVBZIRUGTAJEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2/c1-23(2)18(14-5-7-15(25-3)8-6-14)12-22-19(24)11-13-4-9-16(20)17(21)10-13/h4-10,18H,11-12H2,1-3H3,(H,22,24).
What are the key properties of 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide?
2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide has a molecular weight of 381.30 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]acetamide is sourced from PubChem (CID 6363610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).