2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide

C14H18F3NO2 — CID 174552433

IUPAC2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)c1c(OC(F)(F)F)ccc(C(N)=O)c1C(C)C
InChIInChI=1S/C14H18F3NO2/c1-7(2)11-9(13(18)19)5-6-10(12(11)8(3)4)20-14(15,16)17/h5-8H,1-4H3,(H2,18,19)
InChIKeyDECBPQFOKYDTCE-UHFFFAOYSA-N
MW289.30 g/mol
LogP3.93
Rot. Bonds4

About 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide

2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide (PubChem CID 174552433) has the molecular formula C14H18F3NO2 and a molecular weight of 289.30 g/mol. Its IUPAC name is 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound Name2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide
PubChem CID174552433
Molecular FormulaC14H18F3NO2
Molecular Weight289.30 g/mol
Exact Mass289.13
IUPAC Name2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide
SMILESCC(C)c1c(OC(F)(F)F)ccc(C(N)=O)c1C(C)C
InChIInChI=1S/C14H18F3NO2/c1-7(2)11-9(13(18)19)5-6-10(12(11)8(3)4)20-14(15,16)17/h5-8H,1-4H3,(H2,18,19)
InChIKeyDECBPQFOKYDTCE-UHFFFAOYSA-N
XLogP3.93
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2,3-di(propan-2-yl)-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

Frequently Asked Questions

What is the IUPAC name of 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide?
The IUPAC name of 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide (CID 174552433) is 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide?
The canonical SMILES for 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide is CC(C)c1c(OC(F)(F)F)ccc(C(N)=O)c1C(C)C.
What is the InChIKey of 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide?
The InChIKey is DECBPQFOKYDTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3NO2/c1-7(2)11-9(13(18)19)5-6-10(12(11)8(3)4)20-14(15,16)17/h5-8H,1-4H3,(H2,18,19).
What are the key properties of 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide?
2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide has a molecular weight of 289.30 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(propan-2-yl)-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 174552433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).