N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide

C18H18F3NO2 — CID 2441416

IUPACN-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-17(2,3)14-6-4-5-7-15(14)22-16(23)12-8-10-13(11-9-12)24-18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChIKeyQMONLDHZQJWOLU-UHFFFAOYSA-N
MW337.34 g/mol
LogP5.14
Rot. Bonds3

About N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide

N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide (PubChem CID 2441416) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
PubChem CID2441416
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC NameN-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)(C)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C18H18F3NO2/c1-17(2,3)14-6-4-5-7-15(14)22-16(23)12-8-10-13(11-9-12)24-18(19,20)21/h4-11H,1-3H3,(H,22,23)
InChIKeyQMONLDHZQJWOLU-UHFFFAOYSA-N
XLogP5.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.34
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-tert-butylphenyl)-4-iodobenzamide
CID 60628050
N-(2-ethoxyphenyl)-4-(trifluoromethoxy)benzamide
CID 7935075
N-(2-methoxyphenyl)-4-[[4-(trifluoromethoxy)benzoyl]amino]benzamide
CID 26522670
N-(2-tert-butylphenyl)pyridine-4-carboxamide
CID 2446338
4-phenoxy-N-[2-(trifluoromethyl)phenyl]benzamide
CID 16651583
N-(2-tert-butylphenyl)-4-cyanobenzamide
CID 7688668
N-(2-sulfamoylphenyl)-4-[2-[4-(trifluoromethoxy)phenyl]ethynyl]benzamide
CID 12018920
4-N-(2-tert-butylphenyl)-1-N-prop-2-enylbenzene-1,4-dicarboxamide
CID 109043561
N-(2-tert-butylphenyl)-3-phenoxybenzamide
CID 7920156
4-bromo-N-(2-tert-butylphenyl)-3-fluorobenzamide
CID 63525115
4-methoxy-N-[4-(trifluoromethoxy)phenyl]benzamide
CID 2678249
methyl 3-amino-4-[[4-(trifluoromethoxy)benzoyl]amino]benzoate
CID 122424116

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide (CID 2441416) is N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide is CC(C)(C)c1ccccc1NC(=O)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide?
The InChIKey is QMONLDHZQJWOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-17(2,3)14-6-4-5-7-15(14)22-16(23)12-8-10-13(11-9-12)24-18(19,20)21/h4-11H,1-3H3,(H,22,23).
What are the key properties of N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide?
N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide has a molecular weight of 337.34 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 2441416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).