N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide

C18H18F3NO — CID 71822293

IUPACN-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO/c1-12(2)14-5-3-13(4-6-14)11-22-17(23)15-7-9-16(10-8-15)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyVCTBKETUYCVWPL-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.76
Rot. Bonds4

About N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide

N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide (PubChem CID 71822293) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
PubChem CID71822293
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide
SMILESCC(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H18F3NO/c1-12(2)14-5-3-13(4-6-14)11-22-17(23)15-7-9-16(10-8-15)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyVCTBKETUYCVWPL-UHFFFAOYSA-N
XLogP4.76
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(4-methylphenyl)methyl]-4-propan-2-ylbenzamide
CID 2671711
N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 22225397
N-[[4-(methylsulfamoylmethyl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 38123838
4-(propan-2-ylsulfinylamino)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 71168865
N-(pyridin-4-ylmethyl)-4-(trifluoromethyl)benzamide
CID 12883301
N-[(4-cyanophenyl)methyl]-4-propan-2-ylbenzamide
CID 46591553
2-[[4-[[4-(trifluoromethyl)phenyl]methylcarbamoyl]phenyl]methyl]butanoic acid
CID 127042123
4-amino-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 62680801
4-(difluoromethylsulfonyl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 25402418
4-bromo-3-fluoro-N-[(4-propan-2-ylphenyl)methyl]benzamide
CID 63525830
2,2,2-trifluoroethyl N-[(4-propan-2-ylphenyl)methyl]carbamate
CID 61382490
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-propan-2-ylbenzamide
CID 110405180

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide (CID 71822293) is N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide is CC(C)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide?
The InChIKey is VCTBKETUYCVWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-12(2)14-5-3-13(4-6-14)11-22-17(23)15-7-9-16(10-8-15)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide?
N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 71822293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).