3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide

C16H9F6NO2 — CID 10948411

IUPAC3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
SMILESO=C(NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6NO2/c17-15(18,19)11-5-1-3-9(7-11)13(24)23-14(25)10-4-2-6-12(8-10)16(20,21)22/h1-8H,(H,23,24,25)
InChIKeyHBKCFWKOFQWTNA-UHFFFAOYSA-N
MW361.24 g/mol
LogP4.29
Rot. Bonds2

About 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide

3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide (PubChem CID 10948411) has the molecular formula C16H9F6NO2 and a molecular weight of 361.24 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
PubChem CID10948411
Molecular FormulaC16H9F6NO2
Molecular Weight361.24 g/mol
Exact Mass361.05
IUPAC Name3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide
SMILESO=C(NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H9F6NO2/c17-15(18,19)11-5-1-3-9(7-11)13(24)23-14(25)10-4-2-6-12(8-10)16(20,21)22/h1-8H,(H,23,24,25)
InChIKeyHBKCFWKOFQWTNA-UHFFFAOYSA-N
XLogP4.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
The IUPAC name of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide (CID 10948411) is 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide is O=C(NC(=O)c1cccc(C(F)(F)F)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
The InChIKey is HBKCFWKOFQWTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9F6NO2/c17-15(18,19)11-5-1-3-9(7-11)13(24)23-14(25)10-4-2-6-12(8-10)16(20,21)22/h1-8H,(H,23,24,25).
What are the key properties of 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide?
3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide has a molecular weight of 361.24 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[3-(trifluoromethyl)benzoyl]benzamide is sourced from PubChem (CID 10948411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).