N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide

C23H30FNO2 — CID 158882891

IUPACN-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(CCOc2ccc(C(C)C)cc2F)cc1
InChIInChI=1S/C23H30FNO2/c1-4-5-6-7-23(26)25-20-11-8-18(9-12-20)14-15-27-22-13-10-19(17(2)3)16-21(22)24/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,26)
InChIKeyUEBZPEZLUAGTAP-UHFFFAOYSA-N
MW371.50 g/mol
LogP6.09
Rot. Bonds10

About N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide

N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide (PubChem CID 158882891) has the molecular formula C23H30FNO2 and a molecular weight of 371.50 g/mol. Its IUPAC name is N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide.

Molecular Properties

Compound NameN-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide
PubChem CID158882891
Molecular FormulaC23H30FNO2
Molecular Weight371.50 g/mol
Exact Mass371.23
IUPAC NameN-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide
SMILESCCCCCC(=O)Nc1ccc(CCOc2ccc(C(C)C)cc2F)cc1
InChIInChI=1S/C23H30FNO2/c1-4-5-6-7-23(26)25-20-11-8-18(9-12-20)14-15-27-22-13-10-19(17(2)3)16-21(22)24/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,26)
InChIKeyUEBZPEZLUAGTAP-UHFFFAOYSA-N
XLogP6.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.50
LogP ≤ 56.09
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

N-[3-fluoro-4-(2-methoxyethoxy)phenyl]octanamide
CID 60574223
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-pentoxyphenyl)butanamide
CID 19206216
N-(4-heptylphenyl)heptanamide
CID 101077737
2-fluoro-4-propan-2-yl-1-propoxybenzene
CID 67978486
4-(2-bromo-4-propan-2-ylphenoxy)-N-[4-(diethylamino)phenyl]butanamide
CID 19206319
N-(4-acetylphenyl)-4-(2-bromo-4-propan-2-ylphenoxy)butanamide
CID 19206321
4-(2-bromo-4-propan-2-ylphenoxy)-N-(4-methoxyphenyl)butanamide
CID 19206206
6-amino-N-(4-pentylphenyl)hexanamide
CID 61248961
3-(4-ethoxyphenyl)-N-(4-propan-2-ylphenyl)propanamide
CID 19225956
3-[4-(octanoylamino)phenyl]propanoic acid
CID 81370098
N-(4-butan-2-ylphenyl)tetradecanamide
CID 4191696
4-amino-N-(4-pentylphenyl)butanamide
CID 61248586

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide?
The IUPAC name of N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide (CID 158882891) is N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide.
What is the SMILES notation for N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide?
The canonical SMILES for N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide is CCCCCC(=O)Nc1ccc(CCOc2ccc(C(C)C)cc2F)cc1.
What is the InChIKey of N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide?
The InChIKey is UEBZPEZLUAGTAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30FNO2/c1-4-5-6-7-23(26)25-20-11-8-18(9-12-20)14-15-27-22-13-10-19(17(2)3)16-21(22)24/h8-13,16-17H,4-7,14-15H2,1-3H3,(H,25,26).
What are the key properties of N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide?
N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide has a molecular weight of 371.50 g/mol, XLogP of 6.09, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(2-fluoro-4-propan-2-ylphenoxy)ethyl]phenyl]hexanamide is sourced from PubChem (CID 158882891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).