(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

C17H20F3N3O — CID 108826338

IUPAC(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)CCC
InChIInChI=1S/C17H20F3N3O/c1-3-8-23(9-4-2)12-13(11-21)16(24)22-15-7-5-6-14(10-15)17(18,19)20/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,24)/b13-12-
InChIKeyJUOJIZKZYWFSAV-SEYXRHQNSA-N
MW339.36 g/mol
LogP4.17
Rot. Bonds7

About (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 108826338) has the molecular formula C17H20F3N3O and a molecular weight of 339.36 g/mol. Its IUPAC name is (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID108826338
Molecular FormulaC17H20F3N3O
Molecular Weight339.36 g/mol
Exact Mass339.16
IUPAC Name(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
SMILESCCCN(/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)CCC
InChIInChI=1S/C17H20F3N3O/c1-3-8-23(9-4-2)12-13(11-21)16(24)22-15-7-5-6-14(10-15)17(18,19)20/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,24)/b13-12-
InChIKeyJUOJIZKZYWFSAV-SEYXRHQNSA-N
XLogP4.17
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[bis(2-methylpropyl)amino]-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826367
(Z)-3-(butan-2-ylamino)-2-cyano-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826165
(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 124661249
(Z)-2-cyano-3-(1-ethylpyrrol-2-yl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 126245832
(Z)-N-(4-aminophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108818136
(Z)-N-(4-chlorophenyl)-2-cyano-3-(dipropylamino)prop-2-enamide
CID 108860870
(Z)-2-cyano-N-[3-(trifluoromethyl)phenyl]-3-(2,4,6-trimethylphenyl)prop-2-enamide
CID 126235573
3-[[(Z)-3-[bis(2-hydroxyethyl)amino]-2-cyanoprop-2-enoyl]amino]benzoic acid
CID 108816126
(E)-2-cyano-3-(2,6-dichlorophenyl)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 6245733
(Z)-2-cyano-3-pyrrolidin-1-yl-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826267
(Z)-N-(3-acetylphenyl)-2-cyano-3-(diethylamino)prop-2-enamide
CID 108856788
(Z)-2-cyano-3-(3-ethoxypropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 108826164

Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide (CID 108826338) is (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is CCCN(/C=C(/C#N)C(=O)Nc1cccc(C(F)(F)F)c1)CCC.
What is the InChIKey of (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is JUOJIZKZYWFSAV-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H20F3N3O/c1-3-8-23(9-4-2)12-13(11-21)16(24)22-15-7-5-6-14(10-15)17(18,19)20/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,22,24)/b13-12-.
What are the key properties of (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 339.36 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-3-(dipropylamino)-N-[3-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 108826338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).