4-cycloheptyl-3-(trifluoromethyl)benzamide

C15H18F3NO — CID 143924548

IUPAC4-cycloheptyl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C2CCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)13-9-11(14(19)20)7-8-12(13)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H2,19,20)
InChIKeyJXWGESWSKPPQOT-UHFFFAOYSA-N
MW285.31 g/mol
LogP4.24
Rot. Bonds2

About 4-cycloheptyl-3-(trifluoromethyl)benzamide

4-cycloheptyl-3-(trifluoromethyl)benzamide (PubChem CID 143924548) has the molecular formula C15H18F3NO and a molecular weight of 285.31 g/mol. Its IUPAC name is 4-cycloheptyl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cycloheptyl-3-(trifluoromethyl)benzamide
PubChem CID143924548
Molecular FormulaC15H18F3NO
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name4-cycloheptyl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C2CCCCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C15H18F3NO/c16-15(17,18)13-9-11(14(19)20)7-8-12(13)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H2,19,20)
InChIKeyJXWGESWSKPPQOT-UHFFFAOYSA-N
XLogP4.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-cycloheptyl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-cycloheptyl-3-(trifluoromethyl)benzamide (CID 143924548) is 4-cycloheptyl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cycloheptyl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cycloheptyl-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(C2CCCCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-cycloheptyl-3-(trifluoromethyl)benzamide?
The InChIKey is JXWGESWSKPPQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3NO/c16-15(17,18)13-9-11(14(19)20)7-8-12(13)10-5-3-1-2-4-6-10/h7-10H,1-6H2,(H2,19,20).
What are the key properties of 4-cycloheptyl-3-(trifluoromethyl)benzamide?
4-cycloheptyl-3-(trifluoromethyl)benzamide has a molecular weight of 285.31 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptyl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 143924548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).