5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide

C14H19ClFNO2 — CID 43346690

IUPAC5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CCCCCl
InChIInChI=1S/C14H19ClFNO2/c1-17(14(18)4-2-3-9-15)10-11-19-13-7-5-12(16)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyRLDOKTHWFSCQJE-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.07
Rot. Bonds8

About 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide

5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide (PubChem CID 43346690) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide.

Molecular Properties

Compound Name5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
PubChem CID43346690
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide
SMILESCN(CCOc1ccc(F)cc1)C(=O)CCCCCl
InChIInChI=1S/C14H19ClFNO2/c1-17(14(18)4-2-3-9-15)10-11-19-13-7-5-12(16)6-8-13/h5-8H,2-4,9-11H2,1H3
InChIKeyRLDOKTHWFSCQJE-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

N-[2-(4-fluorophenoxy)ethyl]-N-methylhexanamide
CID 86909745
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
N-butyl-4-(4-fluorophenoxy)-N-methylbutanamide
CID 110487595
2-chloro-N-[3-(4-fluorophenoxy)propyl]-N-methylacetamide
CID 54592497
5-chloro-N-[2-(2-fluorophenoxy)ethyl]-N-methylpentanamide
CID 54875239
4-chloro-N-[2-(3-fluorophenoxy)ethyl]-N-methylbutanamide
CID 63307611
2-[4-(4-fluorophenoxy)butanoyl-methylamino]acetic acid
CID 43356123
3-[4-(difluoromethoxy)phenyl]-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 78848365
3-(4-cyanophenyl)-N-[2-(4-fluorophenoxy)ethyl]-N-methylpropanamide
CID 31949594
5-hydroxy-N-methyl-N-(2-phenoxyethyl)pentanamide
CID 79199692
N-[2-(4-chlorophenoxy)ethyl]-N-methyl-4-(methylamino)butanamide
CID 54868859
2-(2-aminoethoxy)-N-[2-(4-fluorophenoxy)ethyl]-N-methylacetamide
CID 79473071

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide?
The IUPAC name of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide (CID 43346690) is 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide.
What is the SMILES notation for 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide?
The canonical SMILES for 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide is CN(CCOc1ccc(F)cc1)C(=O)CCCCCl.
What is the InChIKey of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide?
The InChIKey is RLDOKTHWFSCQJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-17(14(18)4-2-3-9-15)10-11-19-13-7-5-12(16)6-8-13/h5-8H,2-4,9-11H2,1H3.
What are the key properties of 5-chloro-N-[2-(4-fluorophenoxy)ethyl]-N-methylpentanamide?
5-chloro-N-[2-(4-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-(4-fluorophenoxy)ethyl]-N-methylpentanamide is sourced from PubChem (CID 43346690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).