(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide

C17H17ClN2O2 — CID 94760326

IUPAC(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H17ClN2O2/c1-2-22-16-9-3-12(11-15(16)19)4-10-17(21)20-14-7-5-13(18)6-8-14/h3-11H,2,19H2,1H3,(H,20,21)/b10-4-
InChIKeyCRDYUOWMLNHILV-WMZJFQQLSA-N
MW316.79 g/mol
LogP3.97
Rot. Bonds5

About (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide

(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide (PubChem CID 94760326) has the molecular formula C17H17ClN2O2 and a molecular weight of 316.79 g/mol. Its IUPAC name is (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
PubChem CID94760326
Molecular FormulaC17H17ClN2O2
Molecular Weight316.79 g/mol
Exact Mass316.10
IUPAC Name(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
SMILESCCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2)cc1N
InChIInChI=1S/C17H17ClN2O2/c1-2-22-16-9-3-12(11-15(16)19)4-10-17(21)20-14-7-5-13(18)6-8-14/h3-11H,2,19H2,1H3,(H,20,21)/b10-4-
InChIKeyCRDYUOWMLNHILV-WMZJFQQLSA-N
XLogP3.97
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.79
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-3-(3-amino-4-ethoxyphenyl)-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

N-(4-chlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 732824
(E)-3-(4-chlorophenyl)-N-(3,4-diethoxyphenyl)prop-2-enamide
CID 7924174
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(2,5-difluorophenyl)prop-2-enamide
CID 94760327
(E)-3-(3-amino-4-fluorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 39423072
N-(4-chlorophenyl)-3-(4-ethoxyphenyl)prop-2-enamide
CID 886082
(E)-3-(4-chlorophenyl)-N-(4-ethoxyphenyl)prop-2-enamide
CID 692423
(E)-N-(4-aminophenyl)-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 28854464
N-(3,4-dichlorophenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5046140
(E)-N-(3-amino-4-ethylphenyl)-3-(4-chlorophenyl)prop-2-enamide
CID 28867707
(E)-3-(3-chloro-4-methoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide
CID 51057389
(E)-N-(3-chloro-4-methoxyphenyl)-3-(3,4-diethoxyphenyl)prop-2-enamide
CID 5449139
(Z)-3-(3-amino-4-ethoxyphenyl)prop-2-enoic acid
CID 82152615

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
The IUPAC name of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide (CID 94760326) is (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
The canonical SMILES for (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide is CCOc1ccc(/C=C\C(=O)Nc2ccc(Cl)cc2)cc1N.
What is the InChIKey of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
The InChIKey is CRDYUOWMLNHILV-WMZJFQQLSA-N. The full InChI is InChI=1S/C17H17ClN2O2/c1-2-22-16-9-3-12(11-15(16)19)4-10-17(21)20-14-7-5-13(18)6-8-14/h3-11H,2,19H2,1H3,(H,20,21)/b10-4-.
What are the key properties of (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide?
(Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide has a molecular weight of 316.79 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(3-amino-4-ethoxyphenyl)-N-(4-chlorophenyl)prop-2-enamide is sourced from PubChem (CID 94760326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).