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

C19H19ClN2O3 — CID 9409894

IUPAC(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-22(13-18(23)21-16-9-5-4-8-15(16)20)19(24)12-11-14-7-3-6-10-17(14)25-2/h3-12H,13H2,1-2H3,(H,21,23)/b12-11+
InChIKeyVYWBCKZPBNAICA-VAWYXSNFSA-N
MW358.83 g/mol
LogP3.46
Rot. Bonds6

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

(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide (PubChem CID 9409894) has the molecular formula C19H19ClN2O3 and a molecular weight of 358.83 g/mol. Its IUPAC name is (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
PubChem CID9409894
Molecular FormulaC19H19ClN2O3
Molecular Weight358.83 g/mol
Exact Mass358.11
IUPAC Name(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide
SMILESCOc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C19H19ClN2O3/c1-22(13-18(23)21-16-9-5-4-8-15(16)20)19(24)12-11-14-7-3-6-10-17(14)25-2/h3-12H,13H2,1-2H3,(H,21,23)/b12-11+
InChIKeyVYWBCKZPBNAICA-VAWYXSNFSA-N
XLogP3.46
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 53.46
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-ethoxyphenyl)-N-methylprop-2-enamide
CID 9409771
(E)-3-(2-chlorophenyl)-N-methyl-N-[2-(2-methylsulfanylanilino)-2-oxoethyl]prop-2-enamide
CID 7969609
(E)-N-[2-(2,6-dichloroanilino)-2-oxoethyl]-3-(2,5-dimethoxyphenyl)-N-methylprop-2-enamide
CID 26656183
(E)-3-(2-ethoxyphenyl)-N-methyl-N-[2-(naphthalen-1-ylamino)-2-oxoethyl]prop-2-enamide
CID 9207458
(E)-3-(2-chlorophenyl)-N-[2-(2,5-dimethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9479889
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-2-(2,3,4-trimethoxyphenyl)acetamide
CID 9090069
(E)-3-(2-chlorophenyl)-N-[2-(3,4-diethoxyanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9438905
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-3-[4-(methylsulfamoyl)phenyl]prop-2-enamide
CID 31970765
[2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]-2-oxoethyl] (E)-3-(2-methoxyphenyl)prop-2-enoate
CID 2541775
2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-(2-methoxyphenyl)propanamide
CID 46561666
(E)-3-(2,5-dichlorophenyl)-N-[2-(2-ethylanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 55456685
(E)-3-(2,3-dimethoxyphenyl)-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methylprop-2-enamide
CID 9441423

Frequently Asked Questions

What is the IUPAC name of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
The IUPAC name of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide (CID 9409894) is (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide.
What is the SMILES notation for (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
The canonical SMILES for (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide is COc1ccccc1/C=C/C(=O)N(C)CC(=O)Nc1ccccc1Cl.
What is the InChIKey of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
The InChIKey is VYWBCKZPBNAICA-VAWYXSNFSA-N. The full InChI is InChI=1S/C19H19ClN2O3/c1-22(13-18(23)21-16-9-5-4-8-15(16)20)19(24)12-11-14-7-3-6-10-17(14)25-2/h3-12H,13H2,1-2H3,(H,21,23)/b12-11+.
What are the key properties of (E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide?
(E)-N-[2-(2-chloroanilino)-2-oxoethyl]-3-(2-methoxyphenyl)-N-methylprop-2-enamide has a molecular weight of 358.83 g/mol, XLogP of 3.46, 6 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-methoxyphenyl)-N-methylprop-2-enamide is sourced from PubChem (CID 9409894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).