N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide

C18H16F3NO2 — CID 12010042

IUPACN-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C18H16F3NO2/c1-17(2,15(23)12-8-4-3-5-9-12)22-16(24)13-10-6-7-11-14(13)18(19,20)21/h3-11H,1-2H3,(H,22,24)
InChIKeyILVBAWGKGGOFMQ-UHFFFAOYSA-N
MW335.33 g/mol
LogP4.10
Rot. Bonds4

About N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide

N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide (PubChem CID 12010042) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide
PubChem CID12010042
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC NameN-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide
SMILESCC(C)(NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1
InChIInChI=1S/C18H16F3NO2/c1-17(2,15(23)12-8-4-3-5-9-12)22-16(24)13-10-6-7-11-14(13)18(19,20)21/h3-11H,1-2H3,(H,22,24)
InChIKeyILVBAWGKGGOFMQ-UHFFFAOYSA-N
XLogP4.10
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide (CID 12010042) is N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide is CC(C)(NC(=O)c1ccccc1C(F)(F)F)C(=O)c1ccccc1.
What is the InChIKey of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide?
The InChIKey is ILVBAWGKGGOFMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-17(2,15(23)12-8-4-3-5-9-12)22-16(24)13-10-6-7-11-14(13)18(19,20)21/h3-11H,1-2H3,(H,22,24).
What are the key properties of N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide?
N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide has a molecular weight of 335.33 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1-oxo-1-phenylpropan-2-yl)-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 12010042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).