4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide

C21H14F3NO2 — CID 610570

IUPAC4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)17-8-4-5-9-18(17)25-20(27)16-12-10-15(11-13-16)19(26)14-6-2-1-3-7-14/h1-13H,(H,25,27)
InChIKeyMTHVDRSLBZORTP-UHFFFAOYSA-N
MW369.34 g/mol
LogP5.19
Rot. Bonds4

About 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide

4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide (PubChem CID 610570) has the molecular formula C21H14F3NO2 and a molecular weight of 369.34 g/mol. Its IUPAC name is 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
PubChem CID610570
Molecular FormulaC21H14F3NO2
Molecular Weight369.34 g/mol
Exact Mass369.10
IUPAC Name4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide
SMILESO=C(Nc1ccccc1C(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H14F3NO2/c22-21(23,24)17-8-4-5-9-18(17)25-20(27)16-12-10-15(11-13-16)19(26)14-6-2-1-3-7-14/h1-13H,(H,25,27)
InChIKeyMTHVDRSLBZORTP-UHFFFAOYSA-N
XLogP5.19
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.34
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
[4-[[2-(trifluoromethyl)phenyl]carbamoyl]phenyl]boronic acid
CID 44717648
N-[2-(trifluoromethyl)phenyl]pyridine-4-carboxamide;hydrochloride
CID 110756505
N-[[2-(trifluoromethyl)phenyl]carbamothioyl]benzamide
CID 3410064
3,5-diamino-N-[2-(trifluoromethyl)phenyl]benzamide
CID 61091393
1-(2-benzoylphenyl)-3-[2-(trifluoromethyl)phenyl]thiourea
CID 17255689
4-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 1188867
2-(4-benzoylpyridin-1-ium-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8859319
4-(dimethylsulfamoyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 2474371
1-N-benzyl-3-N-[2-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide
CID 109054164
4-iodo-N'-[2-(trifluoromethyl)phenyl]benzohydrazide
CID 55343394
N-[4-chloro-2-(trifluoromethyl)phenyl]benzamide
CID 801878

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide (CID 610570) is 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide is O=C(Nc1ccccc1C(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide?
The InChIKey is MTHVDRSLBZORTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F3NO2/c22-21(23,24)17-8-4-5-9-18(17)25-20(27)16-12-10-15(11-13-16)19(26)14-6-2-1-3-7-14/h1-13H,(H,25,27).
What are the key properties of 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide?
4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide has a molecular weight of 369.34 g/mol, XLogP of 5.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[2-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 610570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).