(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide

C17H16Cl2N2O3 — CID 56500151

IUPAC(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
SMILESCOCCOc1ncccc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-23-9-10-24-17-15(3-2-8-20-17)21-16(22)7-5-12-4-6-13(18)14(19)11-12/h2-8,11H,9-10H2,1H3,(H,21,22)/b7-5+
InChIKeyFRZLIMYVDVMGDV-FNORWQNLSA-N
MW367.23 g/mol
LogP4.07
Rot. Bonds7

About (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide

(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide (PubChem CID 56500151) has the molecular formula C17H16Cl2N2O3 and a molecular weight of 367.23 g/mol. Its IUPAC name is (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
PubChem CID56500151
Molecular FormulaC17H16Cl2N2O3
Molecular Weight367.23 g/mol
Exact Mass366.05
IUPAC Name(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide
SMILESCOCCOc1ncccc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H16Cl2N2O3/c1-23-9-10-24-17-15(3-2-8-20-17)21-16(22)7-5-12-4-6-13(18)14(19)11-12/h2-8,11H,9-10H2,1H3,(H,21,22)/b7-5+
InChIKeyFRZLIMYVDVMGDV-FNORWQNLSA-N
XLogP4.07
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.23
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 6183154
N-(2-chloro-3-pyridinyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 4676638
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
(E)-3-(3,4-dichlorophenyl)-N-[2-(methanesulfonamido)phenyl]prop-2-enamide
CID 35368313
N-(5-acetamido-2-chlorophenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 75842434
3-(3,4-dichlorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 3485585
(E)-N-(2-acetamido-5-methoxyphenyl)-3-(3,4-dichlorophenyl)prop-2-enamide
CID 60576632
N-(3-amino-3-oxopropyl)-2-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]amino]benzamide
CID 56514869
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
3-(3,4-dichlorophenyl)-N-[3-[3-(3,4-dichlorophenyl)prop-2-enoylamino]phenyl]prop-2-enamide
CID 4675079
(E)-3-(3,4-dichlorophenyl)-N-(2-thiophen-2-ylphenyl)prop-2-enamide
CID 16577559
(E)-3-(3,4-dichlorophenyl)-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 162395253

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide (CID 56500151) is (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide is COCCOc1ncccc1NC(=O)/C=C/c1ccc(Cl)c(Cl)c1.
What is the InChIKey of (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
The InChIKey is FRZLIMYVDVMGDV-FNORWQNLSA-N. The full InChI is InChI=1S/C17H16Cl2N2O3/c1-23-9-10-24-17-15(3-2-8-20-17)21-16(22)7-5-12-4-6-13(18)14(19)11-12/h2-8,11H,9-10H2,1H3,(H,21,22)/b7-5+.
What are the key properties of (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide?
(E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide has a molecular weight of 367.23 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,4-dichlorophenyl)-N-[2-(2-methoxyethoxy)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 56500151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).