(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide

C17H16ClNO2 — CID 5339096

IUPAC(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClNO2/c1-2-21-16-10-6-5-9-15(16)19-17(20)12-11-13-7-3-4-8-14(13)18/h3-12H,2H2,1H3,(H,19,20)/b12-11+
InChIKeyCBAYWDSATBNABO-VAWYXSNFSA-N
MW301.77 g/mol
LogP4.39
Rot. Bonds5

About (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide

(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide (PubChem CID 5339096) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
PubChem CID5339096
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
SMILESCCOc1ccccc1NC(=O)/C=C/c1ccccc1Cl
InChIInChI=1S/C17H16ClNO2/c1-2-21-16-10-6-5-9-15(16)19-17(20)12-11-13-7-3-4-8-14(13)18/h3-12H,2H2,1H3,(H,19,20)/b12-11+
InChIKeyCBAYWDSATBNABO-VAWYXSNFSA-N
XLogP4.39
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)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

3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
ethyl 2-[[(E)-3-(2-chlorophenyl)prop-2-enoyl]amino]benzoate
CID 692627
3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692551
(E)-3-(2-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692552
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153
N-(4-chloro-2,5-dimethoxyphenyl)-3-(2-ethoxyphenyl)prop-2-enamide
CID 5226614
(E)-3-(2-chlorophenyl)-N-(2-methylphenyl)prop-2-enamide
CID 692554
(E)-N-(2-ethoxyphenyl)-3-(4-hydroxyphenyl)prop-2-enamide
CID 84552249
3-(2-ethoxyphenyl)-N-[2-(trifluoromethyl)phenyl]prop-2-enamide
CID 3562949
methyl 4-chloro-3-[[(E)-3-(2-ethoxyphenyl)prop-2-enoyl]amino]benzoate
CID 29454929
N-(2-butoxyphenyl)-3-(2-propoxyphenyl)prop-2-enamide
CID 4081938
(E)-N-(2-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732821

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide (CID 5339096) is (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide is CCOc1ccccc1NC(=O)/C=C/c1ccccc1Cl.
What is the InChIKey of (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide?
The InChIKey is CBAYWDSATBNABO-VAWYXSNFSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-21-16-10-6-5-9-15(16)19-17(20)12-11-13-7-3-4-8-14(13)18/h3-12H,2H2,1H3,(H,19,20)/b12-11+.
What are the key properties of (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide?
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide has a molecular weight of 301.77 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 5339096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).