N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide

C13H18ClNO2 — CID 63395047

IUPACN-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
SMILESCCN(CCCl)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H18ClNO2/c1-3-15(8-7-14)13(16)10-11-5-4-6-12(9-11)17-2/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyJUCPZYPLANEDRJ-UHFFFAOYSA-N
MW255.75 g/mol
LogP2.33
Rot. Bonds6

About N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide

N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide (PubChem CID 63395047) has the molecular formula C13H18ClNO2 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
PubChem CID63395047
Molecular FormulaC13H18ClNO2
Molecular Weight255.75 g/mol
Exact Mass255.10
IUPAC NameN-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide
SMILESCCN(CCCl)C(=O)Cc1cccc(OC)c1
InChIInChI=1S/C13H18ClNO2/c1-3-15(8-7-14)13(16)10-11-5-4-6-12(9-11)17-2/h4-6,9H,3,7-8,10H2,1-2H3
InChIKeyJUCPZYPLANEDRJ-UHFFFAOYSA-N
XLogP2.33
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide 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

N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(3-methoxyphenyl)acetamide
CID 113468253
methyl 3-[ethyl-[2-(3-methoxyphenyl)acetyl]amino]propanoate
CID 61009469
N,N-bis(2-cyanoethyl)-2-(3-methoxyphenyl)acetamide
CID 51185583
N-benzyl-2-(3-methoxyphenyl)-N-(2-phenylethyl)acetamide
CID 55331004
N-ethyl-2-(3-methoxyphenyl)-N-[[(3S)-oxolan-3-yl]methyl]acetamide
CID 94186811
2-chloro-N-[(3-methoxyphenyl)methyl]-N-propylacetamide
CID 39357859
N-(1-hydroxypropan-2-yl)-2-(3-methoxyphenyl)-N-methylacetamide
CID 113337596
N,N-diethyl-2-[(3-methoxyphenyl)methylamino]acetamide
CID 60690684
2-[(3,5-dimethoxyphenyl)methyl-[2-(3-methoxyphenyl)acetyl]amino]acetic acid
CID 119197685
N-ethyl-N-(4-fluorophenyl)-2-(3-methoxyphenyl)acetamide
CID 60592511
2-(3-chlorophenyl)-N-ethyl-N-(2-hydroxyethyl)acetamide
CID 62505484
3-chloro-N-[2-(3-methoxyphenyl)ethyl]-N-methylpropanamide
CID 115162712

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide (CID 63395047) is N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide is CCN(CCCl)C(=O)Cc1cccc(OC)c1.
What is the InChIKey of N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide?
The InChIKey is JUCPZYPLANEDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClNO2/c1-3-15(8-7-14)13(16)10-11-5-4-6-12(9-11)17-2/h4-6,9H,3,7-8,10H2,1-2H3.
What are the key properties of N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide?
N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide has a molecular weight of 255.75 g/mol, XLogP of 2.33, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-ethyl-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 63395047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).