3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide

C24H37F4NO — CID 91731345

IUPAC3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H37F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-23(30)20-17-21(24(26,27)28)19-22(25)18-20/h17-19H,2-16H2,1H3,(H,29,30)
InChIKeyVRISJOXZQJYUQT-UHFFFAOYSA-N
MW431.56 g/mol
LogP8.06
Rot. Bonds16

About 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide

3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide (PubChem CID 91731345) has the molecular formula C24H37F4NO and a molecular weight of 431.56 g/mol. Its IUPAC name is 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
PubChem CID91731345
Molecular FormulaC24H37F4NO
Molecular Weight431.56 g/mol
Exact Mass431.28
IUPAC Name3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide
SMILESCCCCCCCCCCCCCCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1
InChIInChI=1S/C24H37F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-23(30)20-17-21(24(26,27)28)19-22(25)18-20/h17-19H,2-16H2,1H3,(H,29,30)
InChIKeyVRISJOXZQJYUQT-UHFFFAOYSA-N
XLogP8.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.56
LogP ≤ 58.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-3-fluoro-5-(trifluoromethyl)benzamide
CID 119509675
3-fluoro-N-hexyl-5-sulfamoylbenzamide
CID 65379977
3-fluoro-N-pentyl-5-sulfamoylbenzamide
CID 65375754
undecyl 2-[[3-fluoro-5-(trifluoromethyl)benzoyl]amino]propanoate
CID 91737201
3-fluoro-N-octadecylbenzamide
CID 91711883
3-fluoro-N-(2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)benzamide
CID 71972456
nonadecyl 3-fluoro-5-(trifluoromethyl)benzoate
CID 91698375
octadecyl 3-fluoro-5-(trifluoromethyl)benzoate
CID 91730687
N-decyl-5-fluoro-2-(trifluoromethyl)benzamide
CID 91731309
N-tetradecyl-2,5-bis(trifluoromethyl)benzamide
CID 91737858
3-methyl-N-propyl-5-(trifluoromethyl)benzamide
CID 71119889
N-(3-bromopropyl)-3,5-bis(trifluoromethyl)benzamide
CID 132941155

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide (CID 91731345) is 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide is CCCCCCCCCCCCCCCCNC(=O)c1cc(F)cc(C(F)(F)F)c1.
What is the InChIKey of 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide?
The InChIKey is VRISJOXZQJYUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37F4NO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-29-23(30)20-17-21(24(26,27)28)19-22(25)18-20/h17-19H,2-16H2,1H3,(H,29,30).
What are the key properties of 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide?
3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide has a molecular weight of 431.56 g/mol, XLogP of 8.06, 16 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-hexadecyl-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 91731345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).