4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide

C13H17Cl2NO2 — CID 63307950

IUPAC4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CCCCl
InChIInChI=1S/C13H17Cl2NO2/c1-16(13(17)3-2-8-14)9-10-18-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyFTSZKCMFEVMXPN-UHFFFAOYSA-N
MW290.19 g/mol
LogP3.20
Rot. Bonds7

About 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide

4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide (PubChem CID 63307950) has the molecular formula C13H17Cl2NO2 and a molecular weight of 290.19 g/mol. Its IUPAC name is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
PubChem CID63307950
Molecular FormulaC13H17Cl2NO2
Molecular Weight290.19 g/mol
Exact Mass289.06
IUPAC Name4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
SMILESCN(CCOc1ccc(Cl)cc1)C(=O)CCCCl
InChIInChI=1S/C13H17Cl2NO2/c1-16(13(17)3-2-8-14)9-10-18-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3
InChIKeyFTSZKCMFEVMXPN-UHFFFAOYSA-N
XLogP3.20
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.19
LogP ≤ 53.20
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

N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
tert-butyl N-[4-[2-(4-chlorophenoxy)ethyl-methylamino]-4-oxobutyl]carbamate
CID 55406068
N-[2-(4-chlorophenoxy)ethyl]-4-(1,3-dioxoisoindol-2-yl)-N-methylbutanamide
CID 30279170
2-bromo-N-[2-(4-chlorophenoxy)ethyl]-N,2-dimethylpropanamide
CID 115649486
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
3-(2-aminophenyl)-N-[2-(4-chlorophenoxy)ethyl]-N-methylpropanamide
CID 120608115
N-[2-(4-chlorophenoxy)ethyl]-4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-methylbutanamide
CID 47008586
4-amino-N-[2-(4-chlorophenoxy)ethyl]-N,3-dimethylbutanamide
CID 81075390
4-chloro-N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]benzamide
CID 9429637
3-chloro-N-methyl-N-(3-phenoxypropyl)propanamide
CID 54874962

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide (CID 63307950) is 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide is CN(CCOc1ccc(Cl)cc1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide?
The InChIKey is FTSZKCMFEVMXPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO2/c1-16(13(17)3-2-8-14)9-10-18-12-6-4-11(15)5-7-12/h4-7H,2-3,8-10H2,1H3.
What are the key properties of 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide?
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide has a molecular weight of 290.19 g/mol, XLogP of 3.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 63307950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).