N,N-ditert-butyl-4-(trifluoromethoxy)benzamide

C16H22F3NO2 — CID 59614232

IUPACN,N-ditert-butyl-4-(trifluoromethoxy)benzamide
SMILESCC(C)(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-14(2,3)20(15(4,5)6)13(21)11-7-9-12(10-8-11)22-16(17,18)19/h7-10H,1-6H3
InChIKeyZCZIYLFCMQDGOA-UHFFFAOYSA-N
MW317.35 g/mol
LogP4.62
Rot. Bonds2

About N,N-ditert-butyl-4-(trifluoromethoxy)benzamide

N,N-ditert-butyl-4-(trifluoromethoxy)benzamide (PubChem CID 59614232) has the molecular formula C16H22F3NO2 and a molecular weight of 317.35 g/mol. Its IUPAC name is N,N-ditert-butyl-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN,N-ditert-butyl-4-(trifluoromethoxy)benzamide
PubChem CID59614232
Molecular FormulaC16H22F3NO2
Molecular Weight317.35 g/mol
Exact Mass317.16
IUPAC NameN,N-ditert-butyl-4-(trifluoromethoxy)benzamide
SMILESCC(C)(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C
InChIInChI=1S/C16H22F3NO2/c1-14(2,3)20(15(4,5)6)13(21)11-7-9-12(10-8-11)22-16(17,18)19/h7-10H,1-6H3
InChIKeyZCZIYLFCMQDGOA-UHFFFAOYSA-N
XLogP4.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-ditert-butyl-4-(trifluoromethoxy)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-di(propan-2-yl)-4-(trifluoromethoxy)benzamide;ethane
CID 143270772
2-methyl-2-[4-(trifluoromethoxy)phenoxy]propanoic acid
CID 141051034
4-(trifluoromethoxy)benzoic acid;hydrochloride
CID 70271899
ethane;4-(trifluoromethoxy)benzohydrazide
CID 144580536
3-[methyl-[4-(trifluoromethoxy)benzoyl]amino]propanoic acid
CID 60988631
phosphanyl-[4-(trifluoromethoxy)phenyl]methanone
CID 170761962
CID 59303798
CID 59303798
2-methoxyethyl 4-(trifluoromethoxy)benzoate
CID 78831247
N-cycloheptyl-N-methyl-4-(trifluoromethoxy)benzamide
CID 55469129
N-(2-hydroxyethyl)-N-propan-2-yl-4-(trifluoromethoxy)benzamide
CID 43573749
methyl 4-[(E)-2-[4-(trifluoromethoxy)phenyl]ethenyl]benzoate
CID 66707351
butyl 4-(trifluoromethoxy)benzoate
CID 113220950

Frequently Asked Questions

What is the IUPAC name of N,N-ditert-butyl-4-(trifluoromethoxy)benzamide?
The IUPAC name of N,N-ditert-butyl-4-(trifluoromethoxy)benzamide (CID 59614232) is N,N-ditert-butyl-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N,N-ditert-butyl-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N,N-ditert-butyl-4-(trifluoromethoxy)benzamide is CC(C)(C)N(C(=O)c1ccc(OC(F)(F)F)cc1)C(C)(C)C.
What is the InChIKey of N,N-ditert-butyl-4-(trifluoromethoxy)benzamide?
The InChIKey is ZCZIYLFCMQDGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3NO2/c1-14(2,3)20(15(4,5)6)13(21)11-7-9-12(10-8-11)22-16(17,18)19/h7-10H,1-6H3.
What are the key properties of N,N-ditert-butyl-4-(trifluoromethoxy)benzamide?
N,N-ditert-butyl-4-(trifluoromethoxy)benzamide has a molecular weight of 317.35 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-ditert-butyl-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 59614232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).