5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide

C14H19ClFNO2 — CID 54875239

IUPAC5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
SMILESCN(CCOc1ccccc1F)C(=O)CCCCCl
InChIInChI=1S/C14H19ClFNO2/c1-17(14(18)8-4-5-9-15)10-11-19-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyRIZHLLKLDNVOAU-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.07
Rot. Bonds8

About 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide

5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide (PubChem CID 54875239) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
PubChem CID54875239
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
SMILESCN(CCOc1ccccc1F)C(=O)CCCCCl
InChIInChI=1S/C14H19ClFNO2/c1-17(14(18)8-4-5-9-15)10-11-19-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyRIZHLLKLDNVOAU-UHFFFAOYSA-N
XLogP3.07
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(2-fluorophenoxy)ethyl-methylamino]-6-oxohexanoic acid
CID 60952825
4-chloro-N-[2-(2-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307914
5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
CID 43346690
N-(2-cyanoethyl)-4-(2-fluorophenoxy)-N-methylbutanamide
CID 60554110
3-(2-aminophenyl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylpropanamide
CID 120608378
4-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide
CID 18120004
2-(4-chlorophenyl)sulfonyl-N-[2-(2-fluorophenoxy)ethyl]-N-methylacetamide
CID 18124124
(2S)-2-amino-N-[2-(2-fluorophenoxy)ethyl]-N-methylbutanamide;hydrochloride
CID 119274507
N-[2-(2-fluorophenoxy)ethyl]-2-[(4-fluorophenyl)sulfonyl-methylamino]-N-methylacetamide
CID 26960625
N-[2-[2-(2-fluorophenoxy)ethyl-methylamino]-2-oxoethyl]-2,2-dimethylpropanamide
CID 31665805
N-methyl-N-[2-(2-methylphenoxy)ethyl]pentanamide
CID 86909739
3-fluoro-N-[2-(2-fluorophenoxy)ethyl]-N-methylbenzamide
CID 134044702

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide (CID 54875239) is 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide is CN(CCOc1ccccc1F)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
The InChIKey is RIZHLLKLDNVOAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-17(14(18)8-4-5-9-15)10-11-19-13-7-3-2-6-12(13)16/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide?
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide has a molecular weight of 287.76 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide is sourced from PubChem (CID 54875239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).