N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide

C17H19F3N2O2 — CID 134460192

IUPACN-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=C(NC(=O)C2C=CC(C(F)(F)F)=CC2)C=CCC1
InChIInChI=1S/C17H19F3N2O2/c1-2-21-16(24)13-5-3-4-6-14(13)22-15(23)11-7-9-12(10-8-11)17(18,19)20/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyCVYXMHPOLRNROO-UHFFFAOYSA-N
MW340.35 g/mol
LogP2.91
Rot. Bonds4

About N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide

N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide (PubChem CID 134460192) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide
PubChem CID134460192
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC NameN-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide
SMILESCCNC(=O)C1=C(NC(=O)C2C=CC(C(F)(F)F)=CC2)C=CCC1
InChIInChI=1S/C17H19F3N2O2/c1-2-21-16(24)13-5-3-4-6-14(13)22-15(23)11-7-9-12(10-8-11)17(18,19)20/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,24)(H,22,23)
InChIKeyCVYXMHPOLRNROO-UHFFFAOYSA-N
XLogP2.91
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide (CID 134460192) is N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide is CCNC(=O)C1=C(NC(=O)C2C=CC(C(F)(F)F)=CC2)C=CCC1.
What is the InChIKey of N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide?
The InChIKey is CVYXMHPOLRNROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-2-21-16(24)13-5-3-4-6-14(13)22-15(23)11-7-9-12(10-8-11)17(18,19)20/h4,6-7,9-11H,2-3,5,8H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide?
N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide has a molecular weight of 340.35 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[[4-(trifluoromethyl)cyclohexa-2,4-diene-1-carbonyl]amino]cyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 134460192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).