(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide

C18H21F3N2O — CID 144917146

IUPAC(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide
SMILESC=CNC(=O)/C(=C/C(=C/CC)C(F)(F)F)Nc1cccc(CC)c1
InChIInChI=1S/C18H21F3N2O/c1-4-8-14(18(19,20)21)12-16(17(24)22-6-3)23-15-10-7-9-13(5-2)11-15/h6-12,23H,3-5H2,1-2H3,(H,22,24)/b14-8-,16-12-
InChIKeyCTELDORKDFLJEY-GWIMSDAFSA-N
MW338.37 g/mol
LogP4.70
Rot. Bonds7

About (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide

(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide (PubChem CID 144917146) has the molecular formula C18H21F3N2O and a molecular weight of 338.37 g/mol. Its IUPAC name is (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide
PubChem CID144917146
Molecular FormulaC18H21F3N2O
Molecular Weight338.37 g/mol
Exact Mass338.16
IUPAC Name(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide
SMILESC=CNC(=O)/C(=C/C(=C/CC)C(F)(F)F)Nc1cccc(CC)c1
InChIInChI=1S/C18H21F3N2O/c1-4-8-14(18(19,20)21)12-16(17(24)22-6-3)23-15-10-7-9-13(5-2)11-15/h6-12,23H,3-5H2,1-2H3,(H,22,24)/b14-8-,16-12-
InChIKeyCTELDORKDFLJEY-GWIMSDAFSA-N
XLogP4.70
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.37
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-(3-ethylphenyl)-3,3,3-trifluoro-2-methylpropanamide
CID 79796687
2-chloro-N-(3-ethylphenyl)acetamide
CID 2384588
N-(3-ethylphenyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 23579193
1-N,3-N,5-N-tris(3-ethylphenyl)benzene-1,3,5-tricarboxamide
CID 67992311
3-ethyl-N-prop-1-en-2-ylaniline
CID 143032511
3-ethyl-N-[1-(methylideneamino)ethenyl]aniline
CID 143798089
3-(aminomethyl)-N-methyl-N-[(2Z,4Z)-4-(trifluoromethyl)hepta-2,4-dien-2-yl]aniline
CID 144917001
2-[carboxymethyl-[(3-ethylphenyl)carbamoyl]amino]acetic acid
CID 63645936
N-(3-ethylphenyl)decanamide
CID 4053743
(5Z,7Z)-5-[3-(aminomethyl)anilino]-7-(trifluoromethyl)deca-5,7-dien-4-one;3-cyclopropyl-1-(4-fluoro-3-methylphenyl)-1-pyridin-3-ylpropan-1-amine
CID 144916387
3-amino-N-(3-ethylphenyl)-3-sulfanylidenepropanamide
CID 28942511
1-(3-chlorophenyl)-3-(3-ethylphenyl)urea
CID 3247942

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide (CID 144917146) is (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide is C=CNC(=O)/C(=C/C(=C/CC)C(F)(F)F)Nc1cccc(CC)c1.
What is the InChIKey of (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide?
The InChIKey is CTELDORKDFLJEY-GWIMSDAFSA-N. The full InChI is InChI=1S/C18H21F3N2O/c1-4-8-14(18(19,20)21)12-16(17(24)22-6-3)23-15-10-7-9-13(5-2)11-15/h6-12,23H,3-5H2,1-2H3,(H,22,24)/b14-8-,16-12-.
What are the key properties of (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide?
(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide has a molecular weight of 338.37 g/mol, XLogP of 4.70, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide is sourced from PubChem (CID 144917146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).