(E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide

C18H17Cl2NO2 — CID 46424777

IUPAC(E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide
SMILESCOCc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-23-12-14-7-5-13(6-8-14)11-21-18(22)10-9-15-16(19)3-2-4-17(15)20/h2-10H,11-12H2,1H3,(H,21,22)/b10-9+
InChIKeyHEHYENKXSKRVQS-MDZDMXLPSA-N
MW350.25 g/mol
LogP4.47
Rot. Bonds6

About (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide (PubChem CID 46424777) has the molecular formula C18H17Cl2NO2 and a molecular weight of 350.25 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide
PubChem CID46424777
Molecular FormulaC18H17Cl2NO2
Molecular Weight350.25 g/mol
Exact Mass349.06
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide
SMILESCOCc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C18H17Cl2NO2/c1-23-12-14-7-5-13(6-8-14)11-21-18(22)10-9-15-16(19)3-2-4-17(15)20/h2-10H,11-12H2,1H3,(H,21,22)/b10-9+
InChIKeyHEHYENKXSKRVQS-MDZDMXLPSA-N
XLogP4.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(2,6-dichlorophenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]prop-2-enamide
CID 38123668
N-benzyl-3-(2-chloro-6-fluorophenyl)prop-2-enamide
CID 897129
3-(2,6-dichlorophenyl)-N-propylprop-2-enamide
CID 2930612
(E)-3-(2,6-dichlorophenyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]prop-2-enamide
CID 8589365
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 43388952
3-(2,6-dichlorophenyl)-N-(2-hydroxy-2-methylpropyl)prop-2-enamide
CID 77056235
(E)-3-(2,6-dichlorophenyl)-N-(2-hydroxypropyl)prop-2-enamide
CID 43418447
ethyl 2-[3-(2,6-dichlorophenyl)prop-2-enoylamino]acetate
CID 2931083
(E)-3-(2,6-dichlorophenyl)-N-[2-(dimethylamino)-2-oxoethyl]prop-2-enamide
CID 9480917
(E)-3-(2,6-dichlorophenyl)-N-(2-phenylethyl)prop-2-enamide
CID 732568
(E)-3-(2,6-dichlorophenyl)-N-[[4-(3-oxopiperazin-1-yl)phenyl]methyl]prop-2-enamide
CID 46461930
2-chloro-N-[2-[[4-(methoxymethyl)phenyl]methylamino]-2-oxoethyl]benzamide
CID 46415948

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide (CID 46424777) is (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide is COCc1ccc(CNC(=O)/C=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide?
The InChIKey is HEHYENKXSKRVQS-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17Cl2NO2/c1-23-12-14-7-5-13(6-8-14)11-21-18(22)10-9-15-16(19)3-2-4-17(15)20/h2-10H,11-12H2,1H3,(H,21,22)/b10-9+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide has a molecular weight of 350.25 g/mol, XLogP of 4.47, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,6-dichlorophenyl)-N-[[4-(methoxymethyl)phenyl]methyl]prop-2-enamide is sourced from PubChem (CID 46424777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).