3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide

C15H10F3NO2 — CID 58276293

IUPAC3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C=O)cc2C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-6-9(8-20)4-5-12(13)10-2-1-3-11(7-10)14(19)21/h1-8H,(H2,19,21)
InChIKeyCOHCZEGFKXYLEP-UHFFFAOYSA-N
MW293.24 g/mol
LogP3.28
Rot. Bonds3

About 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide

3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide (PubChem CID 58276293) has the molecular formula C15H10F3NO2 and a molecular weight of 293.24 g/mol. Its IUPAC name is 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide
PubChem CID58276293
Molecular FormulaC15H10F3NO2
Molecular Weight293.24 g/mol
Exact Mass293.07
IUPAC Name3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide
SMILESNC(=O)c1cccc(-c2ccc(C=O)cc2C(F)(F)F)c1
InChIInChI=1S/C15H10F3NO2/c16-15(17,18)13-6-9(8-20)4-5-12(13)10-2-1-3-11(7-10)14(19)21/h1-8H,(H2,19,21)
InChIKeyCOHCZEGFKXYLEP-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 ≤ 500293.24
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 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide (CID 58276293) is 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide is NC(=O)c1cccc(-c2ccc(C=O)cc2C(F)(F)F)c1.
What is the InChIKey of 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is COHCZEGFKXYLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NO2/c16-15(17,18)13-6-9(8-20)4-5-12(13)10-2-1-3-11(7-10)14(19)21/h1-8H,(H2,19,21).
What are the key properties of 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide?
3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 293.24 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 3-[4-formyl-2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 58276293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).