2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide

C18H21ClN2O3 — CID 109002869

IUPAC2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-23-15-7-8-17(24-2)16(11-15)21-18(22)12-20-10-9-13-3-5-14(19)6-4-13/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyPUVQZOVLNKQPAB-UHFFFAOYSA-N
MW348.83 g/mol
LogP3.13
Rot. Bonds8

About 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide

2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide (PubChem CID 109002869) has the molecular formula C18H21ClN2O3 and a molecular weight of 348.83 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
PubChem CID109002869
Molecular FormulaC18H21ClN2O3
Molecular Weight348.83 g/mol
Exact Mass348.12
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide
SMILESCOc1ccc(OC)c(NC(=O)CNCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C18H21ClN2O3/c1-23-15-7-8-17(24-2)16(11-15)21-18(22)12-20-10-9-13-3-5-14(19)6-4-13/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22)
InChIKeyPUVQZOVLNKQPAB-UHFFFAOYSA-N
XLogP3.13
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-3-[2-(4-chlorophenyl)ethylamino]propanamide
CID 109028066
N-(5-chloro-2-methoxyphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 108998151
N-(2,5-dimethoxyphenyl)-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119674285
N-(3-chloro-4-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethylamino]acetamide
CID 109001204
N-(2,5-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]acetamide
CID 108994518
N-[2-(4-chlorophenyl)ethyl]-3-(2,5-dimethoxyanilino)propanamide
CID 109027954
N-(2,5-dimethoxyphenyl)-2-(heptylamino)acetamide
CID 54814780
2-(4-chlorophenyl)sulfanyl-N-(2,5-dimethoxyphenyl)acetamide
CID 846639
N-(5-chloro-2-methoxyphenyl)-2-(2-methoxyethylamino)acetamide
CID 78908383
N-(2,5-dimethoxyphenyl)-3-(4-methylphenyl)propanamide
CID 16876325
N-[2-(4-chlorophenyl)ethyl]-2-[2-(3-methoxyphenyl)ethylamino]acetamide
CID 109000854
N-(5-chloro-2-methylphenyl)-3-[2-(4-methoxyphenyl)ethylamino]propanamide
CID 109025931

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide (CID 109002869) is 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide is COc1ccc(OC)c(NC(=O)CNCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide?
The InChIKey is PUVQZOVLNKQPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3/c1-23-15-7-8-17(24-2)16(11-15)21-18(22)12-20-10-9-13-3-5-14(19)6-4-13/h3-8,11,20H,9-10,12H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide?
2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide has a molecular weight of 348.83 g/mol, XLogP of 3.13, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-N-(2,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 109002869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).