2-(4-chloro-3-fluorophenoxy)octanamide

C14H19ClFNO2 — CID 175719063

IUPAC2-(4-chloro-3-fluorophenoxy)octanamide
SMILESCCCCCCC(Oc1ccc(Cl)c(F)c1)C(N)=O
InChIInChI=1S/C14H19ClFNO2/c1-2-3-4-5-6-13(14(17)18)19-10-7-8-11(15)12(16)9-10/h7-9,13H,2-6H2,1H3,(H2,17,18)
InChIKeyMMHDQKPCLSZPFZ-UHFFFAOYSA-N
MW287.76 g/mol
LogP3.68
Rot. Bonds8

About 2-(4-chloro-3-fluorophenoxy)octanamide

2-(4-chloro-3-fluorophenoxy)octanamide (PubChem CID 175719063) has the molecular formula C14H19ClFNO2 and a molecular weight of 287.76 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenoxy)octanamide.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenoxy)octanamide
PubChem CID175719063
Molecular FormulaC14H19ClFNO2
Molecular Weight287.76 g/mol
Exact Mass287.11
IUPAC Name2-(4-chloro-3-fluorophenoxy)octanamide
SMILESCCCCCCC(Oc1ccc(Cl)c(F)c1)C(N)=O
InChIInChI=1S/C14H19ClFNO2/c1-2-3-4-5-6-13(14(17)18)19-10-7-8-11(15)12(16)9-10/h7-9,13H,2-6H2,1H3,(H2,17,18)
InChIKeyMMHDQKPCLSZPFZ-UHFFFAOYSA-N
XLogP3.68
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.76
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-chloro-3-fluorophenoxy)octanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-formylphenoxy)octanamide
CID 123140389
2-(3-amino-1-bicyclo[1.1.1]pentanyl)-2-(4-chloro-3-fluorophenoxy)acetamide
CID 139512673
butyl 4-chloro-3-fluorobenzoate
CID 107989502
2-(4-chloro-3-fluorophenoxy)propanethioamide
CID 82716100
methyl (2R)-2-(4-chloro-3-fluorophenoxy)propanoate
CID 103338162
4-(1-amino-1-oxobutan-2-yl)oxy-2-fluorobenzoic acid
CID 107675391
2-(4-chloro-2-formylphenoxy)hexanamide
CID 123720613
2-(5,6,7,8,8a,9-hexahydro-4bH-fluoren-2-yloxy)heptanamide
CID 154108346
ethyl 2-phenoxydecanoate
CID 101000092
(3R)-3-(4-chloro-3-fluorophenoxy)butanoic acid
CID 103548134
N-(3-amino-4-chlorophenyl)-2-[4-(2-methylbutan-2-yl)phenoxy]tetradecanamide
CID 23453552
N-(3-amino-4-chlorophenyl)-2-(3-butan-2-yl-4-hydroxyphenoxy)tetradecanamide
CID 54220471

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenoxy)octanamide?
The IUPAC name of 2-(4-chloro-3-fluorophenoxy)octanamide (CID 175719063) is 2-(4-chloro-3-fluorophenoxy)octanamide.
What is the SMILES notation for 2-(4-chloro-3-fluorophenoxy)octanamide?
The canonical SMILES for 2-(4-chloro-3-fluorophenoxy)octanamide is CCCCCCC(Oc1ccc(Cl)c(F)c1)C(N)=O.
What is the InChIKey of 2-(4-chloro-3-fluorophenoxy)octanamide?
The InChIKey is MMHDQKPCLSZPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClFNO2/c1-2-3-4-5-6-13(14(17)18)19-10-7-8-11(15)12(16)9-10/h7-9,13H,2-6H2,1H3,(H2,17,18).
What are the key properties of 2-(4-chloro-3-fluorophenoxy)octanamide?
2-(4-chloro-3-fluorophenoxy)octanamide has a molecular weight of 287.76 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenoxy)octanamide is sourced from PubChem (CID 175719063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).