2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide

C13H18ClNO2 — CID 110769985

IUPAC2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(OC)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-15(5-2)13(16)8-10-6-7-11(17-3)9-12(10)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyHGPAUZLTJXRNKH-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.76
Rot. Bonds5

About 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide

2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide (PubChem CID 110769985) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
PubChem CID110769985
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC Name2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cc1ccc(OC)cc1Cl
InChIInChI=1S/C13H18ClNO2/c1-4-15(5-2)13(16)8-10-6-7-11(17-3)9-12(10)14/h6-7,9H,4-5,8H2,1-3H3
InChIKeyHGPAUZLTJXRNKH-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dimethoxyphenyl)-N,N-diethylacetamide
CID 60651948
2-(2-chloro-4-methoxyphenyl)-N-methylacetamide
CID 18456580
N,N-diethyl-2-(5-methoxy-1H-indol-3-yl)acetamide
CID 113209629
N-(2-amino-2-oxoethyl)-N-ethyl-2-(4-methoxy-2-methylphenyl)acetamide
CID 166256642
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-2-(2,4-dimethoxyphenyl)-N-ethylacetamide
CID 25314869
(2-chloro-4-methoxyphenyl)methyl-methylcarbamothioic S-acid
CID 115170143
N,N-diethyl-2-[2-(hydroxymethyl)-5-methoxyphenoxy]acetamide
CID 61269414
2-(2-chloro-4-methoxyphenyl)-N-[(2-hydroxycyclohexyl)methyl]-N-methylacetamide
CID 110003292
2-(2-chloro-4-methoxyphenyl)-N-cyclopropylacetamide
CID 110769934
N,N-diethyl-2-[(2-hydroxy-4-methoxyphenyl)methylamino]acetamide
CID 112688384
ethyl 2-[(2-chloro-4-methoxyphenyl)methyl]-3-oxobutanoate
CID 58836585
2-(2-chloro-4-methoxyphenyl)ethanol
CID 66697098

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide?
The IUPAC name of 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide (CID 110769985) is 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide is CCN(CC)C(=O)Cc1ccc(OC)cc1Cl.
What is the InChIKey of 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide?
The InChIKey is HGPAUZLTJXRNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-4-15(5-2)13(16)8-10-6-7-11(17-3)9-12(10)14/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide?
2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide has a molecular weight of 255.75 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-methoxyphenyl)-N,N-diethylacetamide is sourced from PubChem (CID 110769985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).