4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide

C14H14F3NO — CID 174599516

IUPAC4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C2C=CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H2,18,19)
InChIKeyYWTYULHWHBKRLN-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.63
Rot. Bonds2

About 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide

4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide (PubChem CID 174599516) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide
PubChem CID174599516
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide
SMILESNC(=O)c1ccc(C2C=CCCC2)c(C(F)(F)F)c1
InChIInChI=1S/C14H14F3NO/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H2,18,19)
InChIKeyYWTYULHWHBKRLN-UHFFFAOYSA-N
XLogP3.63
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide?
The IUPAC name of 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide (CID 174599516) is 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide.
What is the SMILES notation for 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide?
The canonical SMILES for 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide is NC(=O)c1ccc(C2C=CCCC2)c(C(F)(F)F)c1.
What is the InChIKey of 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide?
The InChIKey is YWTYULHWHBKRLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c15-14(16,17)12-8-10(13(18)19)6-7-11(12)9-4-2-1-3-5-9/h2,4,6-9H,1,3,5H2,(H2,18,19).
What are the key properties of 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide?
4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide has a molecular weight of 269.27 g/mol, XLogP of 3.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohex-2-en-1-yl-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 174599516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).