5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide

C15H17F3N2O — CID 144930622

IUPAC5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)C2)CC1N
InChIInChI=1S/C15H17F3N2O/c1-9-5-6-10(7-13(9)19)14(21)20-12-4-2-3-11(8-12)15(16,17)18/h2-6,11,13H,7-8,19H2,1H3,(H,20,21)
InChIKeyGOIHMFZKHXGUOT-UHFFFAOYSA-N
MW298.31 g/mol
LogP2.73
Rot. Bonds2

About 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide

5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 144930622) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
PubChem CID144930622
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC Name5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide
SMILESCC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)C2)CC1N
InChIInChI=1S/C15H17F3N2O/c1-9-5-6-10(7-13(9)19)14(21)20-12-4-2-3-11(8-12)15(16,17)18/h2-6,11,13H,7-8,19H2,1H3,(H,20,21)
InChIKeyGOIHMFZKHXGUOT-UHFFFAOYSA-N
XLogP2.73
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide (CID 144930622) is 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide is CC1=CC=C(C(=O)NC2=CC=CC(C(F)(F)F)C2)CC1N.
What is the InChIKey of 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is GOIHMFZKHXGUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9-5-6-10(7-13(9)19)14(21)20-12-4-2-3-11(8-12)15(16,17)18/h2-6,11,13H,7-8,19H2,1H3,(H,20,21).
What are the key properties of 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide?
5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 298.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-N-[5-(trifluoromethyl)cyclohexa-1,3-dien-1-yl]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 144930622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).