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

C17H16F3N3O — CID 144916247

IUPAC(2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide
SMILESC=CNC(=O)/C(=C/C(=C/CC)C(F)(F)F)Nc1cccc(C#N)c1
InChIInChI=1S/C17H16F3N3O/c1-3-6-13(17(18,19)20)10-15(16(24)22-4-2)23-14-8-5-7-12(9-14)11-21/h4-10,23H,2-3H2,1H3,(H,22,24)/b13-6-,15-10-
InChIKeyQPDRWOQNTOYBRD-ZVQULJQWSA-N
MW335.33 g/mol
LogP4.01
Rot. Bonds6

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

(2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide (PubChem CID 144916247) has the molecular formula C17H16F3N3O and a molecular weight of 335.33 g/mol. Its IUPAC name is (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide.

Molecular Properties

Compound Name(2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide
PubChem CID144916247
Molecular FormulaC17H16F3N3O
Molecular Weight335.33 g/mol
Exact Mass335.12
IUPAC Name(2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide
SMILESC=CNC(=O)/C(=C/C(=C/CC)C(F)(F)F)Nc1cccc(C#N)c1
InChIInChI=1S/C17H16F3N3O/c1-3-6-13(17(18,19)20)10-15(16(24)22-4-2)23-14-8-5-7-12(9-14)11-21/h4-10,23H,2-3H2,1H3,(H,22,24)/b13-6-,15-10-
InChIKeyQPDRWOQNTOYBRD-ZVQULJQWSA-N
XLogP4.01
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2Z,4Z)-N-ethenyl-2-(3-ethylanilino)-4-(trifluoromethyl)hepta-2,4-dienamide
CID 144917146
(2Z,4Z)-2-(3-cyanoanilino)-4-(trifluoromethyl)hexa-2,4-dienoic acid
CID 144916501
(2Z,4Z)-2-(3-cyano-N-methylanilino)-4-(trifluoromethyl)hepta-2,4-dienoic acid
CID 144916386
(2Z)-2-(3-cyanoanilino)-4-(trifluoromethyl)penta-2,4-dienoic acid
CID 144916604
(2Z,4Z)-2-(3-cyanoanilino)-N-[3-[1-hydroxy-2-[(Z)-prop-1-enyl]sulfanylbut-2-enyl]phenyl]-4-(trifluoromethyl)hexa-2,4-dienamide
CID 144916856
N-(3-cyanophenyl)-N',N'-diethyl-2,2-dimethylpropanediamide
CID 108965790
2-(3-cyano-N-methylanilino)-N-[3-[(oxolan-2-ylmethylamino)-phenylmethyl]phenyl]-4-(trifluoromethyl)hepta-2,4-dienamide
CID 123248432
N,N'-bis(3-cyanophenyl)-2,2-dimethylpropanediamide
CID 108970159
(Z)-4-(3-cyanoanilino)-2,3-dimethyl-4-oxobut-2-enoic acid
CID 63267169
N-(3-cyanophenyl)-3,3,3-trifluoro-2-(trifluoromethyl)propanamide
CID 103309828
N-(3-cyanophenyl)-3,3-dimethylbutanamide
CID 803129
1-butan-2-yl-3-(3-cyanophenyl)urea
CID 42928067

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide?
The IUPAC name of (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide (CID 144916247) is (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide.
What is the SMILES notation for (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide?
The canonical SMILES for (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide is C=CNC(=O)/C(=C/C(=C/CC)C(F)(F)F)Nc1cccc(C#N)c1.
What is the InChIKey of (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide?
The InChIKey is QPDRWOQNTOYBRD-ZVQULJQWSA-N. The full InChI is InChI=1S/C17H16F3N3O/c1-3-6-13(17(18,19)20)10-15(16(24)22-4-2)23-14-8-5-7-12(9-14)11-21/h4-10,23H,2-3H2,1H3,(H,22,24)/b13-6-,15-10-.
What are the key properties of (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide?
(2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide has a molecular weight of 335.33 g/mol, XLogP of 4.01, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(3-cyanoanilino)-N-ethenyl-4-(trifluoromethyl)hepta-2,4-dienamide is sourced from PubChem (CID 144916247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).