(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide

C15H13ClN2O2 — CID 67337824

IUPAC(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1O
InChIInChI=1S/C15H13ClN2O2/c16-11-2-1-3-12(9-11)18-15(20)7-5-10-4-6-13(17)14(19)8-10/h1-9,19H,17H2,(H,18,20)/b7-5+
InChIKeyJRWFUKFQMKBZPR-FNORWQNLSA-N
MW288.73 g/mol
LogP3.28
Rot. Bonds3

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

(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide (PubChem CID 67337824) has the molecular formula C15H13ClN2O2 and a molecular weight of 288.73 g/mol. Its IUPAC name is (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
PubChem CID67337824
Molecular FormulaC15H13ClN2O2
Molecular Weight288.73 g/mol
Exact Mass288.07
IUPAC Name(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
SMILESNc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1O
InChIInChI=1S/C15H13ClN2O2/c16-11-2-1-3-12(9-11)18-15(20)7-5-10-4-6-13(17)14(19)8-10/h1-9,19H,17H2,(H,18,20)/b7-5+
InChIKeyJRWFUKFQMKBZPR-FNORWQNLSA-N
XLogP3.28
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 53.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)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

Related Compounds

(E)-N-(3-chlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
CID 45376337
(E)-N-(3-chlorophenyl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enamide
CID 90682051
(Z)-3-(3-amino-4-prop-2-enoxyphenyl)-N-(3-chlorophenyl)prop-2-enamide
CID 82153862
(E)-N-(3-chlorophenyl)-3-(4-nitrophenyl)prop-2-enamide
CID 875691
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3-sulfamoylphenyl)prop-2-enamide
CID 5186373
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
(E)-3-(3-amino-4-chlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 39387862
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
N-(3-chlorophenyl)-3-(3-methoxy-4-sulfamoylphenyl)prop-2-enamide
CID 67338697
(E)-3-(3-chlorophenyl)-N-(3-ethylphenyl)prop-2-enamide
CID 2591543
methyl 4-[(E)-3-(3-chloroanilino)-3-oxoprop-1-enyl]benzoate
CID 40632540

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide (CID 67337824) is (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide is Nc1ccc(/C=C/C(=O)Nc2cccc(Cl)c2)cc1O.
What is the InChIKey of (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
The InChIKey is JRWFUKFQMKBZPR-FNORWQNLSA-N. The full InChI is InChI=1S/C15H13ClN2O2/c16-11-2-1-3-12(9-11)18-15(20)7-5-10-4-6-13(17)14(19)8-10/h1-9,19H,17H2,(H,18,20)/b7-5+.
What are the key properties of (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide?
(E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide has a molecular weight of 288.73 g/mol, XLogP of 3.28, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-amino-3-hydroxyphenyl)-N-(3-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 67337824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).