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

C18H23F3N2O2 — CID 142335254

IUPACformamide;N-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.NC=O
InChIInChI=1S/C17H20F3NO.CH3NO/c1-2-11-21-16(22)14-9-4-3-7-12(14)13-8-5-6-10-15(13)17(18,19)20;2-1-3/h3,5-8,10,13,15H,2,4,9,11H2,1H3,(H,21,22);1H,(H2,2,3)
InChIKeyAPUIVWPOXPBGQU-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.18
Rot. Bonds4

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

formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 142335254) has the molecular formula C18H23F3N2O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Nameformamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID142335254
Molecular FormulaC18H23F3N2O2
Molecular Weight356.39 g/mol
Exact Mass356.17
IUPAC Nameformamide;N-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.NC=O
InChIInChI=1S/C17H20F3NO.CH3NO/c1-2-11-21-16(22)14-9-4-3-7-12(14)13-8-5-6-10-15(13)17(18,19)20;2-1-3/h3,5-8,10,13,15H,2,4,9,11H2,1H3,(H,21,22);1H,(H2,2,3)
InChIKeyAPUIVWPOXPBGQU-UHFFFAOYSA-N
XLogP3.18
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide (CID 142335254) is formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for formamide;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.NC=O.
What is the InChIKey of formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is APUIVWPOXPBGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3NO.CH3NO/c1-2-11-21-16(22)14-9-4-3-7-12(14)13-8-5-6-10-15(13)17(18,19)20;2-1-3/h3,5-8,10,13,15H,2,4,9,11H2,1H3,(H,21,22);1H,(H2,2,3).
What are the key properties of formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formamide;N-propyl-2-[6-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 142335254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).