4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide

C13H17ClFNO2 — CID 63307611

IUPAC4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
SMILESCN(CCOc1cccc(F)c1)C(=O)CCCCl
InChIInChI=1S/C13H17ClFNO2/c1-16(13(17)6-3-7-14)8-9-18-12-5-2-4-11(15)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeySWVGNXAYWDVSJK-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.68
Rot. Bonds7

About 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide

4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide (PubChem CID 63307611) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
PubChem CID63307611
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC Name4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
SMILESCN(CCOc1cccc(F)c1)C(=O)CCCCl
InChIInChI=1S/C13H17ClFNO2/c1-16(13(17)6-3-7-14)8-9-18-12-5-2-4-11(15)10-12/h2,4-5,10H,3,6-9H2,1H3
InChIKeySWVGNXAYWDVSJK-UHFFFAOYSA-N
XLogP2.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.68
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

3-[3-(3-fluorophenoxy)propanoyl-methylamino]propanoic acid
CID 60989974
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
3-chloro-N-methyl-N-[2-(3-methylphenoxy)ethyl]propanamide
CID 54875471
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660
(2S)-2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylhexanamide
CID 103831526
2-(1-aminocyclopentyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 64679568
1-fluoro-3-[2-[methyl(sulfamoyl)amino]ethoxy]benzene
CID 112686090
2-amino-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanediamide
CID 60946637
4-(3-fluorophenoxy)-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]butanamide
CID 55929431
N-[(3-fluorophenyl)methyl]-N-methyl-4-phenoxybutanamide
CID 86975850

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide?
The IUPAC name of 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide (CID 63307611) is 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide.
What is the SMILES notation for 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide?
The canonical SMILES for 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide is CN(CCOc1cccc(F)c1)C(=O)CCCCl.
What is the InChIKey of 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide?
The InChIKey is SWVGNXAYWDVSJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-16(13(17)6-3-7-14)8-9-18-12-5-2-4-11(15)10-12/h2,4-5,10H,3,6-9H2,1H3.
What are the key properties of 4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide?
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide has a molecular weight of 273.73 g/mol, XLogP of 2.68, 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-(3-fluorophenoxy)ethyl]-N-methylbutanamide is sourced from PubChem (CID 63307611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).