2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide

C20H24FNO2 — CID 122591136

IUPAC2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide
SMILESCCCCCCN(C(=O)CF)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24FNO2/c1-2-3-4-10-15-22(20(23)16-21)18-13-8-9-14-19(18)24-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3
InChIKeyHRGQQNUCCQOAEZ-UHFFFAOYSA-N
MW329.42 g/mol
LogP5.36
Rot. Bonds9

About 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide

2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide (PubChem CID 122591136) has the molecular formula C20H24FNO2 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide
PubChem CID122591136
Molecular FormulaC20H24FNO2
Molecular Weight329.42 g/mol
Exact Mass329.18
IUPAC Name2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide
SMILESCCCCCCN(C(=O)CF)c1ccccc1Oc1ccccc1
InChIInChI=1S/C20H24FNO2/c1-2-3-4-10-15-22(20(23)16-21)18-13-8-9-14-19(18)24-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3
InChIKeyHRGQQNUCCQOAEZ-UHFFFAOYSA-N
XLogP5.36
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.42
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
CID 122591106
N,N-dioctyl-2-phenoxyaniline
CID 139723274
2-phenoxy-N,N-di(tridecyl)aniline
CID 139723702
N,N-dioctadecyl-2-phenoxyaniline
CID 139724057
5-[(2S,3S)-3-hexyl-4-oxooxetan-2-yl]pentyl-(2-phenoxyphenyl)carbamic acid
CID 87901115
N-methyl-N-(2-phenoxyphenyl)pentanamide
CID 60606428
N-(5-hydroxypentyl)-N-(2-methoxyphenyl)propanamide
CID 70548251
N-benzyl-2-bromo-N-(2-phenoxyphenyl)acetamide
CID 71490575
(2R)-2-(2-phenoxy-N-propylanilino)butanoic acid
CID 125045010
N,N-diethyl-3-(N-methylsulfonyl-2-phenoxyanilino)propanamide
CID 113146440
2-(N-ethyl-2-phenoxyanilino)acetic acid
CID 100522605
N-octan-2-yl-2-phenoxybenzamide
CID 4673195

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide?
The IUPAC name of 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide (CID 122591136) is 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide?
The canonical SMILES for 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide is CCCCCCN(C(=O)CF)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide?
The InChIKey is HRGQQNUCCQOAEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FNO2/c1-2-3-4-10-15-22(20(23)16-21)18-13-8-9-14-19(18)24-17-11-6-5-7-12-17/h5-9,11-14H,2-4,10,15-16H2,1H3.
What are the key properties of 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide?
2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide has a molecular weight of 329.42 g/mol, XLogP of 5.36, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-hexyl-N-(2-phenoxyphenyl)acetamide is sourced from PubChem (CID 122591136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).