(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide

C19H19Cl2NO4 — CID 99996164

IUPAC(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C19H19Cl2NO4/c1-24-16-8-5-13(18(25-2)19(16)26-3)11-22-17(23)9-6-12-4-7-14(20)10-15(12)21/h4-10H,11H2,1-3H3,(H,22,23)/b9-6+
InChIKeyLZFKTMWUUJCMNQ-RMKNXTFCSA-N
MW396.27 g/mol
LogP4.35
Rot. Bonds7

About (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide (PubChem CID 99996164) has the molecular formula C19H19Cl2NO4 and a molecular weight of 396.27 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide
PubChem CID99996164
Molecular FormulaC19H19Cl2NO4
Molecular Weight396.27 g/mol
Exact Mass395.07
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide
SMILESCOc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1OC
InChIInChI=1S/C19H19Cl2NO4/c1-24-16-8-5-13(18(25-2)19(16)26-3)11-22-17(23)9-6-12-4-7-14(20)10-15(12)21/h4-10H,11H2,1-3H3,(H,22,23)/b9-6+
InChIKeyLZFKTMWUUJCMNQ-RMKNXTFCSA-N
XLogP4.35
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.27
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-2,3,4-trimethoxybenzamide
CID 55329564
3-(5-chloro-2-methoxyphenyl)-N-ethylprop-2-enamide
CID 75268042
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]-2,2-dimethylpropyl]prop-2-enamide
CID 6166785
N-ethyl-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 3905301
1-(2,4-dichlorophenyl)-3-(2,3,4-trimethoxyphenyl)prop-2-en-1-one
CID 54371850
(E)-3-(2,4-dichlorophenyl)-N-[3-[[(E)-3-(2,4-dichlorophenyl)prop-2-enoyl]amino]propyl]prop-2-enamide
CID 6113892
(E)-N-[(2-ethoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 28570264
(E)-N-(4-chloro-2,5-dimethoxyphenyl)-3-(2,4-dichlorophenyl)prop-2-enamide
CID 1181184
(E)-N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 6064379
N-[(4-methoxyphenyl)methyl]-3-(2,3,4-trimethoxyphenyl)prop-2-enamide
CID 4307222
(E)-N-[2-(carbamoylamino)ethyl]-3-(5-chloro-2-methoxyphenyl)prop-2-enamide
CID 75534745
3-(2,4-dichlorophenyl)-N-[(4-fluorophenyl)methyl]prop-2-enamide
CID 887747

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide (CID 99996164) is (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide is COc1ccc(CNC(=O)/C=C/c2ccc(Cl)cc2Cl)c(OC)c1OC.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide?
The InChIKey is LZFKTMWUUJCMNQ-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H19Cl2NO4/c1-24-16-8-5-13(18(25-2)19(16)26-3)11-22-17(23)9-6-12-4-7-14(20)10-15(12)21/h4-10H,11H2,1-3H3,(H,22,23)/b9-6+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide has a molecular weight of 396.27 g/mol, XLogP of 4.35, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-[(2,3,4-trimethoxyphenyl)methyl]prop-2-enamide is sourced from PubChem (CID 99996164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).