N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide

C17H20F3NO — CID 142335255

IUPACN-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=C(C2C=CC=CC2C(F)(F)F)C=CCC1
InChIInChI=1S/C17H20F3NO/c1-2-11-21-16(22)14-9-4-3-7-12(14)13-8-5-6-10-15(13)17(18,19)20/h3,5-8,10,13,15H,2,4,9,11H2,1H3,(H,21,22)
InChIKeyBUGFUZOTUGBXHU-UHFFFAOYSA-N
MW311.35 g/mol
LogP4.08
Rot. Bonds4

About N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide

N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142335255) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID142335255
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC NameN-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCCCNC(=O)C1=C(C2C=CC=CC2C(F)(F)F)C=CCC1
InChIInChI=1S/C17H20F3NO/c1-2-11-21-16(22)14-9-4-3-7-12(14)13-8-5-6-10-15(13)17(18,19)20/h3,5-8,10,13,15H,2,4,9,11H2,1H3,(H,21,22)
InChIKeyBUGFUZOTUGBXHU-UHFFFAOYSA-N
XLogP4.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide (CID 142335255) is N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide is CCCNC(=O)C1=C(C2C=CC=CC2C(F)(F)F)C=CCC1.
What is the InChIKey of N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is BUGFUZOTUGBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-2-11-21-16(22)14-9-4-3-7-12(14)13-8-5-6-10-15(13)17(18,19)20/h3,5-8,10,13,15H,2,4,9,11H2,1H3,(H,21,22).
What are the key properties of N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 311.35 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142335255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).