(Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide

C17H13F3N2O4 — CID 59890556

IUPAC(Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)CC(O)c1ccco1
InChIInChI=1S/C17H13F3N2O4/c18-17(19,20)10-3-5-11(6-4-10)22-16(25)12(9-21)13(23)8-14(24)15-2-1-7-26-15/h1-7,14,23-24H,8H2,(H,22,25)/b13-12-
InChIKeyONGUXPZMOMDWJC-SEYXRHQNSA-N
MW366.30 g/mol
LogP3.70
Rot. Bonds5

About (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide

(Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide (PubChem CID 59890556) has the molecular formula C17H13F3N2O4 and a molecular weight of 366.30 g/mol. Its IUPAC name is (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide.

Molecular Properties

Compound Name(Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
PubChem CID59890556
Molecular FormulaC17H13F3N2O4
Molecular Weight366.30 g/mol
Exact Mass366.08
IUPAC Name(Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide
SMILESN#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)CC(O)c1ccco1
InChIInChI=1S/C17H13F3N2O4/c18-17(19,20)10-3-5-11(6-4-10)22-16(25)12(9-21)13(23)8-14(24)15-2-1-7-26-15/h1-7,14,23-24H,8H2,(H,22,25)/b13-12-
InChIKeyONGUXPZMOMDWJC-SEYXRHQNSA-N
XLogP3.70
TPSA106.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.30
LogP ≤ 53.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
The IUPAC name of (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide (CID 59890556) is (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide.
What is the SMILES notation for (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
The canonical SMILES for (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide is N#C/C(C(=O)Nc1ccc(C(F)(F)F)cc1)=C(/O)CC(O)c1ccco1.
What is the InChIKey of (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
The InChIKey is ONGUXPZMOMDWJC-SEYXRHQNSA-N. The full InChI is InChI=1S/C17H13F3N2O4/c18-17(19,20)10-3-5-11(6-4-10)22-16(25)12(9-21)13(23)8-14(24)15-2-1-7-26-15/h1-7,14,23-24H,8H2,(H,22,25)/b13-12-.
What are the key properties of (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide?
(Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide has a molecular weight of 366.30 g/mol, XLogP of 3.70, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-cyano-5-(furan-2-yl)-3,5-dihydroxy-N-[4-(trifluoromethyl)phenyl]pent-2-enamide is sourced from PubChem (CID 59890556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).