N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

C19H20F3NO — CID 131801006

IUPACN-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO/c1-12-5-10-15(17(24)23-18(2,3)4)16(11-12)13-6-8-14(9-7-13)19(20,21)22/h5-11H,1-4H3,(H,23,24)
InChIKeyFIAPWYSKVJQDFK-UHFFFAOYSA-N
MW335.37 g/mol
LogP5.21
Rot. Bonds2

About N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide

N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 131801006) has the molecular formula C19H20F3NO and a molecular weight of 335.37 g/mol. Its IUPAC name is N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID131801006
Molecular FormulaC19H20F3NO
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C19H20F3NO/c1-12-5-10-15(17(24)23-18(2,3)4)16(11-12)13-6-8-14(9-7-13)19(20,21)22/h5-11H,1-4H3,(H,23,24)
InChIKeyFIAPWYSKVJQDFK-UHFFFAOYSA-N
XLogP5.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.37
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide (CID 131801006) is N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)NC(C)(C)C)c(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is FIAPWYSKVJQDFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3NO/c1-12-5-10-15(17(24)23-18(2,3)4)16(11-12)13-6-8-14(9-7-13)19(20,21)22/h5-11H,1-4H3,(H,23,24).
What are the key properties of N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide?
N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 335.37 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-methyl-2-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 131801006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).