2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide

C18H24F3NO — CID 150634098

IUPAC2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide
SMILESCC=CCCCCC(CC)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c1-3-5-6-7-8-9-14(4-2)17(23)22-16-12-10-15(11-13-16)18(19,20)21/h3,5,10-14H,4,6-9H2,1-2H3,(H,22,23)
InChIKeyIYNBFFPANCEQEG-UHFFFAOYSA-N
MW327.39 g/mol
LogP5.81
Rot. Bonds8

About 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide

2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide (PubChem CID 150634098) has the molecular formula C18H24F3NO and a molecular weight of 327.39 g/mol. Its IUPAC name is 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide.

Molecular Properties

Compound Name2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide
PubChem CID150634098
Molecular FormulaC18H24F3NO
Molecular Weight327.39 g/mol
Exact Mass327.18
IUPAC Name2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide
SMILESCC=CCCCCC(CC)C(=O)Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C18H24F3NO/c1-3-5-6-7-8-9-14(4-2)17(23)22-16-12-10-15(11-13-16)18(19,20)21/h3,5,10-14H,4,6-9H2,1-2H3,(H,22,23)
InChIKeyIYNBFFPANCEQEG-UHFFFAOYSA-N
XLogP5.81
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.39
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-(4-phenylphenyl)non-7-enamide
CID 150409330
N-(2-bromophenyl)-2-ethylnon-7-enamide
CID 140646551
2-ethyl-N-(2-propylphenyl)non-7-enamide
CID 140646559
2-ethyl-N-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]butanamide
CID 112999463
(5Z,8Z,11Z,14Z)-N-[4-(trifluoromethyl)phenyl]icosa-5,8,11,14-tetraenamide
CID 130441271
2-ethyl-N-(4-fluorophenyl)heptanamide
CID 130290912
(E)-2-ethyl-N-[(4-methylphenyl)methyl]non-7-enamide
CID 90266134
tert-butyl 2-ethylnon-7-enoate
CID 141062972
(2S,3S)-2-amino-3-methyl-N-[4-(trifluoromethyl)phenyl]pentanamide
CID 42313687
(2S)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685798
2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 51108589
(2R)-2-hydroxy-N-[4-(trifluoromethyl)phenyl]propanamide
CID 94685800

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide?
The IUPAC name of 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide (CID 150634098) is 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide.
What is the SMILES notation for 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide?
The canonical SMILES for 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide is CC=CCCCCC(CC)C(=O)Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide?
The InChIKey is IYNBFFPANCEQEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3NO/c1-3-5-6-7-8-9-14(4-2)17(23)22-16-12-10-15(11-13-16)18(19,20)21/h3,5,10-14H,4,6-9H2,1-2H3,(H,22,23).
What are the key properties of 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide?
2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide has a molecular weight of 327.39 g/mol, XLogP of 5.81, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[4-(trifluoromethyl)phenyl]non-7-enamide is sourced from PubChem (CID 150634098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).