(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide

C16H13Cl2NO2 — CID 51057389

IUPAC(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H13Cl2NO2/c1-21-15-8-2-11(10-14(15)18)3-9-16(20)19-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,19,20)/b9-3+
InChIKeyNOHUCYUTFAXQNO-YCRREMRBSA-N
MW322.19 g/mol
LogP4.65
Rot. Bonds4

About (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide

(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide (PubChem CID 51057389) has the molecular formula C16H13Cl2NO2 and a molecular weight of 322.19 g/mol. Its IUPAC name is (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
PubChem CID51057389
Molecular FormulaC16H13Cl2NO2
Molecular Weight322.19 g/mol
Exact Mass321.03
IUPAC Name(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
SMILESCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1Cl
InChIInChI=1S/C16H13Cl2NO2/c1-21-15-8-2-11(10-14(15)18)3-9-16(20)19-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,19,20)/b9-3+
InChIKeyNOHUCYUTFAXQNO-YCRREMRBSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-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)-3-(3-chloro-4-methoxyphenyl)-N-phenylprop-2-enamide
CID 51057386
(E)-3-(3-chloro-4-methylphenyl)-N-(3,4-dimethoxyphenyl)prop-2-enamide
CID 26695081
(E)-N-(3-chloro-4-methoxyphenyl)-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 1121350
3-(4-chlorophenyl)-N-(4-methoxyphenyl)prop-2-enamide
CID 692413
N-(4-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enamide
CID 773597
N-(3-chloro-4-methoxyphenyl)-3-(3-methoxy-4-propan-2-yloxyphenyl)prop-2-enamide
CID 4583429
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
(E)-3-(3-chloro-4-methoxyphenyl)-N-(2,4-dimethoxyphenyl)prop-2-enamide
CID 17393859
(E)-4-(3-chloro-4-methoxyphenyl)but-3-en-2-one
CID 65021560
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 94760326
(E)-N-[(3-chloro-4-methoxyphenyl)carbamothioyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 54788609

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide (CID 51057389) is (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide is COc1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2)cc1Cl.
What is the InChIKey of (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
The InChIKey is NOHUCYUTFAXQNO-YCRREMRBSA-N. The full InChI is InChI=1S/C16H13Cl2NO2/c1-21-15-8-2-11(10-14(15)18)3-9-16(20)19-13-6-4-12(17)5-7-13/h2-10H,1H3,(H,19,20)/b9-3+.
What are the key properties of (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide has a molecular weight of 322.19 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 51057389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).