(E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide

C15H12BrNO2 — CID 54753444

IUPAC(E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrNO2/c16-12-2-1-3-13(10-12)17-15(19)9-6-11-4-7-14(18)8-5-11/h1-10,18H,(H,17,19)/b9-6+
InChIKeyLGIOERZAPULBPP-RMKNXTFCSA-N
MW318.17 g/mol
LogP3.81
Rot. Bonds3

About (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide

(E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide (PubChem CID 54753444) has the molecular formula C15H12BrNO2 and a molecular weight of 318.17 g/mol. Its IUPAC name is (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide
PubChem CID54753444
Molecular FormulaC15H12BrNO2
Molecular Weight318.17 g/mol
Exact Mass317.01
IUPAC Name(E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)cc1)Nc1cccc(Br)c1
InChIInChI=1S/C15H12BrNO2/c16-12-2-1-3-13(10-12)17-15(19)9-6-11-4-7-14(18)8-5-11/h1-10,18H,(H,17,19)/b9-6+
InChIKeyLGIOERZAPULBPP-RMKNXTFCSA-N
XLogP3.81
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide (CID 54753444) is (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(O)cc1)Nc1cccc(Br)c1.
What is the InChIKey of (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
The InChIKey is LGIOERZAPULBPP-RMKNXTFCSA-N. The full InChI is InChI=1S/C15H12BrNO2/c16-12-2-1-3-13(10-12)17-15(19)9-6-11-4-7-14(18)8-5-11/h1-10,18H,(H,17,19)/b9-6+.
What are the key properties of (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide?
(E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide has a molecular weight of 318.17 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-bromophenyl)-3-(4-hydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 54753444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).