2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide

C15H16F3NO2 — CID 174619984

IUPAC2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1C1CCC(C=O)CC1
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)11-5-6-12(13(7-11)14(19)21)10-3-1-9(8-20)2-4-10/h5-10H,1-4H2,(H2,19,21)
InChIKeyFGMNLYBOUCANKS-UHFFFAOYSA-N
MW299.29 g/mol
LogP3.28
Rot. Bonds3

About 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide

2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide (PubChem CID 174619984) has the molecular formula C15H16F3NO2 and a molecular weight of 299.29 g/mol. Its IUPAC name is 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide
PubChem CID174619984
Molecular FormulaC15H16F3NO2
Molecular Weight299.29 g/mol
Exact Mass299.11
IUPAC Name2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide
SMILESNC(=O)c1cc(C(F)(F)F)ccc1C1CCC(C=O)CC1
InChIInChI=1S/C15H16F3NO2/c16-15(17,18)11-5-6-12(13(7-11)14(19)21)10-3-1-9(8-20)2-4-10/h5-10H,1-4H2,(H2,19,21)
InChIKeyFGMNLYBOUCANKS-UHFFFAOYSA-N
XLogP3.28
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide (CID 174619984) is 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide is NC(=O)c1cc(C(F)(F)F)ccc1C1CCC(C=O)CC1.
What is the InChIKey of 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide?
The InChIKey is FGMNLYBOUCANKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2/c16-15(17,18)11-5-6-12(13(7-11)14(19)21)10-3-1-9(8-20)2-4-10/h5-10H,1-4H2,(H2,19,21).
What are the key properties of 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide?
2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide has a molecular weight of 299.29 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-formylcyclohexyl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 174619984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).