2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide

C27H38FNO2 — CID 122591106

IUPAC2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
SMILESCCCCCCCCCCCCCN(C(=O)CF)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H38FNO2/c1-2-3-4-5-6-7-8-9-10-11-17-22-29(27(30)23-28)25-20-15-16-21-26(25)31-24-18-13-12-14-19-24/h12-16,18-21H,2-11,17,22-23H2,1H3
InChIKeyNNMFJHHSRJXEIW-UHFFFAOYSA-N
MW427.60 g/mol
LogP8.09
Rot. Bonds16

About 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide

2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide (PubChem CID 122591106) has the molecular formula C27H38FNO2 and a molecular weight of 427.60 g/mol. Its IUPAC name is 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide.

Molecular Properties

Compound Name2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
PubChem CID122591106
Molecular FormulaC27H38FNO2
Molecular Weight427.60 g/mol
Exact Mass427.29
IUPAC Name2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide
SMILESCCCCCCCCCCCCCN(C(=O)CF)c1ccccc1Oc1ccccc1
InChIInChI=1S/C27H38FNO2/c1-2-3-4-5-6-7-8-9-10-11-17-22-29(27(30)23-28)25-20-15-16-21-26(25)31-24-18-13-12-14-19-24/h12-16,18-21H,2-11,17,22-23H2,1H3
InChIKeyNNMFJHHSRJXEIW-UHFFFAOYSA-N
XLogP8.09
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.60
LogP ≤ 58.09
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-hexyl-N-(2-phenoxyphenyl)acetamide
CID 122591136
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-(2-phenoxyphenyl)-N-tridecylacetamide?
The IUPAC name of 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide (CID 122591106) is 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide.
What is the SMILES notation for 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide?
The canonical SMILES for 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide is CCCCCCCCCCCCCN(C(=O)CF)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide?
The InChIKey is NNMFJHHSRJXEIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38FNO2/c1-2-3-4-5-6-7-8-9-10-11-17-22-29(27(30)23-28)25-20-15-16-21-26(25)31-24-18-13-12-14-19-24/h12-16,18-21H,2-11,17,22-23H2,1H3.
What are the key properties of 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide?
2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide has a molecular weight of 427.60 g/mol, XLogP of 8.09, 16 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-phenoxyphenyl)-N-tridecylacetamide is sourced from PubChem (CID 122591106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).