(E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide

C10H6Br2N2O2 — CID 2356088

IUPAC(E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(N)=O
InChIInChI=1S/C10H6Br2N2O2/c11-7-2-5(3-8(12)9(7)15)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16)/b6-1+
InChIKeyKBUWWCNCBZGKLE-LZCJLJQNSA-N
MW345.98 g/mol
LogP2.31
Rot. Bonds2

About (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide

(E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide (PubChem CID 2356088) has the molecular formula C10H6Br2N2O2 and a molecular weight of 345.98 g/mol. Its IUPAC name is (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide
PubChem CID2356088
Molecular FormulaC10H6Br2N2O2
Molecular Weight345.98 g/mol
Exact Mass343.88
IUPAC Name(E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide
SMILESN#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(N)=O
InChIInChI=1S/C10H6Br2N2O2/c11-7-2-5(3-8(12)9(7)15)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16)/b6-1+
InChIKeyKBUWWCNCBZGKLE-LZCJLJQNSA-N
XLogP2.31
TPSA87.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.98
LogP ≤ 52.31
H-Bond Donors ≤ 52
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'}

Analyze (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide (CID 2356088) is (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide is N#C/C(=C\c1cc(Br)c(O)c(Br)c1)C(N)=O.
What is the InChIKey of (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide?
The InChIKey is KBUWWCNCBZGKLE-LZCJLJQNSA-N. The full InChI is InChI=1S/C10H6Br2N2O2/c11-7-2-5(3-8(12)9(7)15)1-6(4-13)10(14)16/h1-3,15H,(H2,14,16)/b6-1+.
What are the key properties of (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide?
(E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide has a molecular weight of 345.98 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-3-(3,5-dibromo-4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 2356088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).