N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

C18H18F3NO — CID 4848940

IUPACN-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO/c1-12(2)14-6-8-16(9-7-14)22-17(23)11-13-4-3-5-15(10-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyMNAABLQWHCFKCZ-UHFFFAOYSA-N
MW321.34 g/mol
LogP5.01
Rot. Bonds4

About N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide

N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 4848940) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID4848940
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C18H18F3NO/c1-12(2)14-6-8-16(9-7-14)22-17(23)11-13-4-3-5-15(10-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23)
InChIKeyMNAABLQWHCFKCZ-UHFFFAOYSA-N
XLogP5.01
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.34
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-2-[4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]phenyl]acetamide
CID 38402676
N-(4-anilinophenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 161345978
N-methyl-4-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 8700304
N-[4-[methyl(propan-2-yl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8759670
2-(3-ethylphenyl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 123188980
N-(4-phenyldiazenylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7927071
N-(3-chloro-4-methoxyphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide
CID 7934876
4-propan-2-yl-N-[4-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]benzamide
CID 28639338
N-[(1R)-1-naphthalen-2-ylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8025350
2-chloro-5-[[2-[3-(trifluoromethyl)phenyl]acetyl]amino]benzamide
CID 39997581
N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55865488
1,1-dimethyl-3-(4-propan-2-ylphenyl)urea;1,1-dimethyl-3-[3-(trifluoromethyl)phenyl]urea
CID 159194263

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide (CID 4848940) is N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide is CC(C)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is MNAABLQWHCFKCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-12(2)14-6-8-16(9-7-14)22-17(23)11-13-4-3-5-15(10-13)18(19,20)21/h3-10,12H,11H2,1-2H3,(H,22,23).
What are the key properties of N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide?
N-(4-propan-2-ylphenyl)-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 5.01, 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)-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 4848940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).