(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide

C20H21ClN2O3 — CID 9409771

IUPAC(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-3-26-18-11-7-4-8-15(18)12-13-20(25)23(2)14-19(24)22-17-10-6-5-9-16(17)21/h4-13H,3,14H2,1-2H3,(H,22,24)/b13-12+
InChIKeyWYLCYQXECBPZLX-OUKQBFOZSA-N
MW372.85 g/mol
LogP3.85
Rot. Bonds7

About (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide

(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide (PubChem CID 9409771) has the molecular formula C20H21ClN2O3 and a molecular weight of 372.85 g/mol. Its IUPAC name is (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
PubChem CID9409771
Molecular FormulaC20H21ClN2O3
Molecular Weight372.85 g/mol
Exact Mass372.12
IUPAC Name(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide
SMILESCCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C20H21ClN2O3/c1-3-26-18-11-7-4-8-15(18)12-13-20(25)23(2)14-19(24)22-17-10-6-5-9-16(17)21/h4-13H,3,14H2,1-2H3,(H,22,24)/b13-12+
InChIKeyWYLCYQXECBPZLX-OUKQBFOZSA-N
XLogP3.85
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.85
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
CID 9409894
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
CID 9207458
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 7969609
3-(2-ethoxyphenyl)-N,N-dimethylprop-2-enamide
CID 76872157
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(4-morpholin-4-ylanilino)-2-oxoethyl]prop-2-enamide
CID 9409440
(E)-3-(2-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9479889
3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 692550
(E)-3-(2-chlorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 5339096
(E)-3-(2,5-dichlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55456685
2-(N-acetyl-2-ethoxyanilino)-N-(2-chlorophenyl)acetamide
CID 113173783
3-(5-bromo-2-ethoxyphenyl)-N-(2-chlorophenyl)prop-2-enamide
CID 1182153

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide (CID 9409771) is (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide is CCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is WYLCYQXECBPZLX-OUKQBFOZSA-N. The full InChI is InChI=1S/C20H21ClN2O3/c1-3-26-18-11-7-4-8-15(18)12-13-20(25)23(2)14-19(24)22-17-10-6-5-9-16(17)21/h4-13H,3,14H2,1-2H3,(H,22,24)/b13-12+.
What are the key properties of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide?
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 372.85 g/mol, XLogP of 3.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-ethoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 9409771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).