3-fluoro-4-(4-hexylphenoxy)benzamide

C19H22FNO2 — CID 142415242

IUPAC3-fluoro-4-(4-hexylphenoxy)benzamide
SMILESCCCCCCc1ccc(Oc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C19H22FNO2/c1-2-3-4-5-6-14-7-10-16(11-8-14)23-18-12-9-15(19(21)22)13-17(18)20/h7-13H,2-6H2,1H3,(H2,21,22)
InChIKeyNNYNLMNENOQVMF-UHFFFAOYSA-N
MW315.39 g/mol
LogP4.84
Rot. Bonds8

About 3-fluoro-4-(4-hexylphenoxy)benzamide

3-fluoro-4-(4-hexylphenoxy)benzamide (PubChem CID 142415242) has the molecular formula C19H22FNO2 and a molecular weight of 315.39 g/mol. Its IUPAC name is 3-fluoro-4-(4-hexylphenoxy)benzamide.

Molecular Properties

Compound Name3-fluoro-4-(4-hexylphenoxy)benzamide
PubChem CID142415242
Molecular FormulaC19H22FNO2
Molecular Weight315.39 g/mol
Exact Mass315.16
IUPAC Name3-fluoro-4-(4-hexylphenoxy)benzamide
SMILESCCCCCCc1ccc(Oc2ccc(C(N)=O)cc2F)cc1
InChIInChI=1S/C19H22FNO2/c1-2-3-4-5-6-14-7-10-16(11-8-14)23-18-12-9-15(19(21)22)13-17(18)20/h7-13H,2-6H2,1H3,(H2,21,22)
InChIKeyNNYNLMNENOQVMF-UHFFFAOYSA-N
XLogP4.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-hydroxy-4-(4-pentylphenoxy)benzamide
CID 166015390
3-fluoro-4-[4-(2-hydroxyethyl)phenoxy]benzamide
CID 107709668
1-[4-(4-butylphenoxy)-3-fluorophenyl]-2-hydroxyethanone
CID 158011620
5-fluoro-6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 146305871
1-[3-fluoro-4-(4-propylphenoxy)phenyl]ethanone
CID 63532362
3-fluoro-4-(4-hydroxyphenoxy)benzamide
CID 60870089
4-octylbenzamide;hydrochloride
CID 131740255
bis[4-(4-hexylphenoxy)phenyl]methanone
CID 139804555
3-fluoro-4-(4-formylphenoxy)benzamide
CID 57352536
(4-octylphenyl) 4-(2-chloro-3-methylbutanoyl)oxy-3-fluorobenzoate
CID 19846990
6-(4-pentylphenoxy)pyridine-3-carboxamide
CID 142415252
4-(bromomethyl)-1-(4-butylphenoxy)-2-fluorobenzene
CID 107089012

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(4-hexylphenoxy)benzamide?
The IUPAC name of 3-fluoro-4-(4-hexylphenoxy)benzamide (CID 142415242) is 3-fluoro-4-(4-hexylphenoxy)benzamide.
What is the SMILES notation for 3-fluoro-4-(4-hexylphenoxy)benzamide?
The canonical SMILES for 3-fluoro-4-(4-hexylphenoxy)benzamide is CCCCCCc1ccc(Oc2ccc(C(N)=O)cc2F)cc1.
What is the InChIKey of 3-fluoro-4-(4-hexylphenoxy)benzamide?
The InChIKey is NNYNLMNENOQVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FNO2/c1-2-3-4-5-6-14-7-10-16(11-8-14)23-18-12-9-15(19(21)22)13-17(18)20/h7-13H,2-6H2,1H3,(H2,21,22).
What are the key properties of 3-fluoro-4-(4-hexylphenoxy)benzamide?
3-fluoro-4-(4-hexylphenoxy)benzamide has a molecular weight of 315.39 g/mol, XLogP of 4.84, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(4-hexylphenoxy)benzamide is sourced from PubChem (CID 142415242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).