4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide

C17H16F3NO — CID 887218

IUPAC4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO/c1-11(2)12-6-8-13(9-7-12)16(22)21-15-5-3-4-14(10-15)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeySKPDKAMWIAYNDM-UHFFFAOYSA-N
MW307.31 g/mol
LogP5.08
Rot. Bonds3

About 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide

4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 887218) has the molecular formula C17H16F3NO and a molecular weight of 307.31 g/mol. Its IUPAC name is 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID887218
Molecular FormulaC17H16F3NO
Molecular Weight307.31 g/mol
Exact Mass307.12
IUPAC Name4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H16F3NO/c1-11(2)12-6-8-13(9-7-12)16(22)21-15-5-3-4-14(10-15)17(18,19)20/h3-11H,1-2H3,(H,21,22)
InChIKeySKPDKAMWIAYNDM-UHFFFAOYSA-N
XLogP5.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.31
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
4-propan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 806811
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263
N-(3-chlorophenyl)-4-propan-2-ylbenzamide
CID 1406456
3-[(4-acetamidobenzoyl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 46513546
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508
4-N-(3-fluorophenyl)-1-N-(4-propan-2-ylphenyl)benzene-1,4-dicarboxamide
CID 109049826
methyl 2-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenoxy]propanoate
CID 5072001
4-butan-2-yloxy-N-[3-(trifluoromethyl)phenyl]benzamide
CID 17197649

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 887218) is 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide is CC(C)c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is SKPDKAMWIAYNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3NO/c1-11(2)12-6-8-13(9-7-12)16(22)21-15-5-3-4-14(10-15)17(18,19)20/h3-11H,1-2H3,(H,21,22).
What are the key properties of 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide?
4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 307.31 g/mol, XLogP of 5.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 887218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).