N,N-dihexyl-3-(trifluoromethyl)benzamide

C20H30F3NO — CID 532932

IUPACN,N-dihexyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H30F3NO/c1-3-5-7-9-14-24(15-10-8-6-4-2)19(25)17-12-11-13-18(16-17)20(21,22)23/h11-13,16H,3-10,14-15H2,1-2H3
InChIKeyODGFIYYZYLLNJF-UHFFFAOYSA-N
MW357.46 g/mol
LogP6.31
Rot. Bonds11

About N,N-dihexyl-3-(trifluoromethyl)benzamide

N,N-dihexyl-3-(trifluoromethyl)benzamide (PubChem CID 532932) has the molecular formula C20H30F3NO and a molecular weight of 357.46 g/mol. Its IUPAC name is N,N-dihexyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN,N-dihexyl-3-(trifluoromethyl)benzamide
PubChem CID532932
Molecular FormulaC20H30F3NO
Molecular Weight357.46 g/mol
Exact Mass357.23
IUPAC NameN,N-dihexyl-3-(trifluoromethyl)benzamide
SMILESCCCCCCN(CCCCCC)C(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H30F3NO/c1-3-5-7-9-14-24(15-10-8-6-4-2)19(25)17-12-11-13-18(16-17)20(21,22)23/h11-13,16H,3-10,14-15H2,1-2H3
InChIKeyODGFIYYZYLLNJF-UHFFFAOYSA-N
XLogP6.31
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.46
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-3-(trifluoromethyl)benzamide?
The IUPAC name of N,N-dihexyl-3-(trifluoromethyl)benzamide (CID 532932) is N,N-dihexyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N,N-dihexyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for N,N-dihexyl-3-(trifluoromethyl)benzamide is CCCCCCN(CCCCCC)C(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N,N-dihexyl-3-(trifluoromethyl)benzamide?
The InChIKey is ODGFIYYZYLLNJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30F3NO/c1-3-5-7-9-14-24(15-10-8-6-4-2)19(25)17-12-11-13-18(16-17)20(21,22)23/h11-13,16H,3-10,14-15H2,1-2H3.
What are the key properties of N,N-dihexyl-3-(trifluoromethyl)benzamide?
N,N-dihexyl-3-(trifluoromethyl)benzamide has a molecular weight of 357.46 g/mol, XLogP of 6.31, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 532932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).