3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide

C13H17Cl2NO2 — CID 55110390

IUPAC3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-10(9-14)13(17)16(2)6-7-18-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyASVXEVCPKUDYNK-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.05
Rot. Bonds6

About 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide

3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide (PubChem CID 55110390) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
PubChem CID55110390
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
SMILESCC(CCl)C(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C13H17Cl2NO2/c1-10(9-14)13(17)16(2)6-7-18-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3
InChIKeyASVXEVCPKUDYNK-UHFFFAOYSA-N
XLogP3.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 61165412
N-(2-chloroethyl)-2-(3-chlorophenoxy)-N-methylpropanamide
CID 63391336
2-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-phenylpropanamide
CID 119274381
N-[2-(3-chlorophenoxy)ethyl]-N-methylprop-2-enamide
CID 60953888
N-[2-(3-chlorophenoxy)ethyl]-3,5-dimethoxy-N-methylbenzamide
CID 27446793
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-4-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 33321730
2,5-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylthiophene-3-carboxamide
CID 55431451
5-amino-N-[2-(3-chlorophenoxy)ethyl]-N,4-dimethylpentanamide
CID 82011724
1-[2-(3-chlorophenoxy)ethyl]-3-(3-chlorophenyl)-1-methylurea
CID 24528515
1-amino-N-[2-(3-chlorophenoxy)ethyl]-N-methylcyclopropane-1-carboxamide
CID 65464035
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
The IUPAC name of 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide (CID 55110390) is 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide.
What is the SMILES notation for 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
The canonical SMILES for 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide is CC(CCl)C(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
The InChIKey is ASVXEVCPKUDYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-10(9-14)13(17)16(2)6-7-18-12-5-3-4-11(15)8-12/h3-5,8,10H,6-7,9H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide?
3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide has a molecular weight of 290.19 g/mol, XLogP of 3.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(3-chlorophenoxy)ethyl]-N,2-dimethylpropanamide is sourced from PubChem (CID 55110390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).