6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide

C17H18BrFN2O2 — CID 118730983

IUPAC6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
SMILESO=C(CCCCCOc1cccc(Br)c1)Nc1ccnc(F)c1
InChIInChI=1S/C17H18BrFN2O2/c18-13-5-4-6-15(11-13)23-10-3-1-2-7-17(22)21-14-8-9-20-16(19)12-14/h4-6,8-9,11-12H,1-3,7,10H2,(H,20,21,22)
InChIKeySKRSIUVCTORQPX-UHFFFAOYSA-N
MW381.25 g/mol
LogP4.56
Rot. Bonds8

About 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide

6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide (PubChem CID 118730983) has the molecular formula C17H18BrFN2O2 and a molecular weight of 381.25 g/mol. Its IUPAC name is 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide.

Molecular Properties

Compound Name6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
PubChem CID118730983
Molecular FormulaC17H18BrFN2O2
Molecular Weight381.25 g/mol
Exact Mass380.05
IUPAC Name6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide
SMILESO=C(CCCCCOc1cccc(Br)c1)Nc1ccnc(F)c1
InChIInChI=1S/C17H18BrFN2O2/c18-13-5-4-6-15(11-13)23-10-3-1-2-7-17(22)21-14-8-9-20-16(19)12-14/h4-6,8-9,11-12H,1-3,7,10H2,(H,20,21,22)
InChIKeySKRSIUVCTORQPX-UHFFFAOYSA-N
XLogP4.56
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.25
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(3-bromophenoxy)-N-(3-fluorophenyl)propanamide
CID 26579539
6-(3-hydroxyphenoxy)-N-[2-(trifluoromethyl)-4-pyridinyl]hexanamide
CID 118730959
3-(3-bromophenoxy)-N-(3-fluoro-4-methylphenyl)propanamide
CID 26710610
4-(3-bromophenoxy)-N-[3-(3-cyanopropoxy)phenyl]butanamide
CID 55878833
N,N'-bis(3-hexoxyphenyl)nonanediamide
CID 17094975
bis[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane;6-(3-bromophenoxy)-N-(2-chloro-4-pyridinyl)hexanamide;6-(3-bromophenoxy)hexanoic acid;6-chloropyrimidin-4-amine;sulfanylidene-[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[[(sulfanylidene-λ4-sulfanylidene)-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfanylidene]-λ4-sulfane
CID 158012275
4-(3-bromophenoxy)-N-(3-nitrophenyl)butanamide
CID 7965665
4-(3-bromophenoxy)-N-(2,3,4-trifluorophenyl)butanamide
CID 7958724
4-[[2-(3-bromophenoxy)acetyl]amino]pyridine-2-carboxylic acid
CID 63650319
3-(3-bromophenoxy)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)propanamide
CID 26687166
4-[4-(3-bromophenoxy)butanoylamino]-N,N-dimethylbenzamide
CID 8698575
N-(4-bromo-2-fluorophenyl)-3-(3-bromophenoxy)propanamide
CID 134059439

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide?
The IUPAC name of 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide (CID 118730983) is 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide.
What is the SMILES notation for 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide?
The canonical SMILES for 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide is O=C(CCCCCOc1cccc(Br)c1)Nc1ccnc(F)c1.
What is the InChIKey of 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide?
The InChIKey is SKRSIUVCTORQPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O2/c18-13-5-4-6-15(11-13)23-10-3-1-2-7-17(22)21-14-8-9-20-16(19)12-14/h4-6,8-9,11-12H,1-3,7,10H2,(H,20,21,22).
What are the key properties of 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide?
6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide has a molecular weight of 381.25 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenoxy)-N-(2-fluoro-4-pyridinyl)hexanamide is sourced from PubChem (CID 118730983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).