(E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

C15H12ClNO3 — CID 46907510

IUPAC(E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-2-4-12(11)17-15(20)8-6-10-5-7-13(18)14(19)9-10/h1-9,18-19H,(H,17,20)/b8-6+
InChIKeyZBVTYCHAECZWPS-SOFGYWHQSA-N
MW289.72 g/mol
LogP3.40
Rot. Bonds3

About (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide

(E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide (PubChem CID 46907510) has the molecular formula C15H12ClNO3 and a molecular weight of 289.72 g/mol. Its IUPAC name is (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
PubChem CID46907510
Molecular FormulaC15H12ClNO3
Molecular Weight289.72 g/mol
Exact Mass289.05
IUPAC Name(E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClNO3/c16-11-3-1-2-4-12(11)17-15(20)8-6-10-5-7-13(18)14(19)9-10/h1-9,18-19H,(H,17,20)/b8-6+
InChIKeyZBVTYCHAECZWPS-SOFGYWHQSA-N
XLogP3.40
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.72
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

AG 494
CID 5328771
(E)-3-(3,4-dihydroxyphenyl)-N-(4-hydroxyphenyl)prop-2-enamide
CID 13559594
(E)-3-(3,4-dihydroxyphenyl)-N-(2-hydroxyphenyl)prop-2-enamide
CID 20196702
(E)-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide
CID 44271421
(E)-3-(3,4-dihydroxyphenyl)-N-(3-hydroxyphenyl)prop-2-enamide
CID 44308844
(E)-N-(3-Chloro-phenyl)-3-(3-hydroxy-4-methoxy-phenyl)-acrylamide
CID 45376337
(E)-3-(3,4-dihydroxyphenyl)-N-(4-methylphenyl)prop-2-enamide
CID 46703062
(E)-N-(4-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide
CID 46861775
(E)-3-(3,4-dihydroxyphenyl)-N-(4-fluorophenyl)prop-2-enamide
CID 46861793
(E)-N-(4-chlorophenyl)-3-(3-hydroxyphenyl)prop-2-enamide
CID 71559897
3-Hydroxy-cinnamanilide
CID 71718276
Tyrphostin deriv. 54
CID 5328774

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide (CID 46907510) is (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide is O=C(/C=C/c1ccc(O)c(O)c1)Nc1ccccc1Cl.
What is the InChIKey of (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
The InChIKey is ZBVTYCHAECZWPS-SOFGYWHQSA-N. The full InChI is InChI=1S/C15H12ClNO3/c16-11-3-1-2-4-12(11)17-15(20)8-6-10-5-7-13(18)14(19)9-10/h1-9,18-19H,(H,17,20)/b8-6+.
What are the key properties of (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide?
(E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide has a molecular weight of 289.72 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-chlorophenyl)-3-(3,4-dihydroxyphenyl)prop-2-enamide is sourced from PubChem (CID 46907510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).