(E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

C16H13Cl2NO3 — CID 45377694

IUPAC(E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C16H13Cl2NO3/c1-22-15-6-2-10(8-14(15)20)3-7-16(21)19-11-4-5-12(17)13(18)9-11/h2-9,20H,1H3,(H,19,21)/b7-3+
InChIKeyOSTVRNNGUODLSQ-XVNBXDOJSA-N
MW338.19 g/mol
LogP4.36
Rot. Bonds4

About (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide

(E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (PubChem CID 45377694) has the molecular formula C16H13Cl2NO3 and a molecular weight of 338.19 g/mol. Its IUPAC name is (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
PubChem CID45377694
Molecular FormulaC16H13Cl2NO3
Molecular Weight338.19 g/mol
Exact Mass337.03
IUPAC Name(E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1O
InChIInChI=1S/C16H13Cl2NO3/c1-22-15-6-2-10(8-14(15)20)3-7-16(21)19-11-4-5-12(17)13(18)9-11/h2-9,20H,1H3,(H,19,21)/b7-3+
InChIKeyOSTVRNNGUODLSQ-XVNBXDOJSA-N
XLogP4.36
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)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)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide (CID 45377694) is (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(Cl)c2)cc1O.
What is the InChIKey of (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
The InChIKey is OSTVRNNGUODLSQ-XVNBXDOJSA-N. The full InChI is InChI=1S/C16H13Cl2NO3/c1-22-15-6-2-10(8-14(15)20)3-7-16(21)19-11-4-5-12(17)13(18)9-11/h2-9,20H,1H3,(H,19,21)/b7-3+.
What are the key properties of (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide?
(E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide has a molecular weight of 338.19 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3,4-dichlorophenyl)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enamide is sourced from PubChem (CID 45377694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).