N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

C17H20F3NO — CID 142335235

IUPACN-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)C1=C(NC(=O)C2C=CC(C(F)(F)F)=CC2)C=CCC1
InChIInChI=1S/C17H20F3NO/c1-11(2)14-5-3-4-6-15(14)21-16(22)12-7-9-13(10-8-12)17(18,19)20/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,21,22)
InChIKeyHWEFVYBNVPDRMX-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.43
Rot. Bonds3

About N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide

N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (PubChem CID 142335235) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
PubChem CID142335235
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide
SMILESCC(C)C1=C(NC(=O)C2C=CC(C(F)(F)F)=CC2)C=CCC1
InChIInChI=1S/C17H20F3NO/c1-11(2)14-5-3-4-6-15(14)21-16(22)12-7-9-13(10-8-12)17(18,19)20/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,21,22)
InChIKeyHWEFVYBNVPDRMX-UHFFFAOYSA-N
XLogP4.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide (CID 142335235) is N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is CC(C)C1=C(NC(=O)C2C=CC(C(F)(F)F)=CC2)C=CCC1.
What is the InChIKey of N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
The InChIKey is HWEFVYBNVPDRMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-11(2)14-5-3-4-6-15(14)21-16(22)12-7-9-13(10-8-12)17(18,19)20/h4,6-7,9-12H,3,5,8H2,1-2H3,(H,21,22).
What are the key properties of N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide?
N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-ylcyclohexa-1,5-dien-1-yl)-4-(trifluoromethyl)cyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 142335235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).