N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide

C14H10F3NO — CID 178072195

IUPACN-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide
SMILESO=C(/N=C1/C=CC=CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h1-4,6-9H,5H2/b18-12-
InChIKeyHVLFZYHSIQVLSE-PDGQHHTCSA-N
MW265.23 g/mol
LogP3.80
Rot. Bonds1

About N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide

N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide (PubChem CID 178072195) has the molecular formula C14H10F3NO and a molecular weight of 265.23 g/mol. Its IUPAC name is N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide
PubChem CID178072195
Molecular FormulaC14H10F3NO
Molecular Weight265.23 g/mol
Exact Mass265.07
IUPAC NameN-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide
SMILESO=C(/N=C1/C=CC=CC1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H10F3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h1-4,6-9H,5H2/b18-12-
InChIKeyHVLFZYHSIQVLSE-PDGQHHTCSA-N
XLogP3.80
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-(1-aminoethylidene)-4-(trifluoromethyl)benzamide
CID 142003582
[4-(trifluoromethyl)benzoyl]azanium
CID 153171776
1-[cyclopenta-2,4-dien-1-ylidene-[4-(trifluoromethyl)phenyl]methyl]-4-(trifluoromethyl)benzene
CID 87195760
2,2-dimethoxy-1,3-bis[4-(trifluoromethyl)phenyl]propane-1,3-dione
CID 11560797
N-(2H-quinolin-1-ium-1-ylidene)-4-(trifluoromethyl)benzamide
CID 162539298
2,2,2-trideuterio-1-[4-(trifluoromethyl)phenyl]ethanone
CID 102059263
(4-methylpiperazin-1-yl)-[4-(trifluoromethyl)phenyl]methanone chloride
CID 53350752
[3,5-bis[4-(trifluoromethyl)benzoyl]phenyl]-[4-(trifluoromethyl)phenyl]methanone
CID 139681041
(3,4-dihydroxypyrrolidin-1-yl)-[4-(trifluoromethyl)phenyl]methanone
CID 106671798
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
2-hydroxy-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 10082090
N-hydroxy-N-methyl-4-(trifluoromethyl)benzamide
CID 10420962

Frequently Asked Questions

What is the IUPAC name of N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide?
The IUPAC name of N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide (CID 178072195) is N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide.
What is the SMILES notation for N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide?
The canonical SMILES for N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide is O=C(/N=C1/C=CC=CC1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide?
The InChIKey is HVLFZYHSIQVLSE-PDGQHHTCSA-N. The full InChI is InChI=1S/C14H10F3NO/c15-14(16,17)11-8-6-10(7-9-11)13(19)18-12-4-2-1-3-5-12/h1-4,6-9H,5H2/b18-12-.
What are the key properties of N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide?
N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide has a molecular weight of 265.23 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexa-2,4-dien-1-ylidene-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 178072195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).