(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide

C12H13Cl2NO3 — CID 79675580

IUPAC(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide
SMILESCOCCONC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO3/c1-17-4-5-18-15-12(16)3-2-9-6-10(13)8-11(14)7-9/h2-3,6-8H,4-5H2,1H3,(H,15,16)/b3-2+
InChIKeyZPILISCYFZATJQ-NSCUHMNNSA-N
MW290.15 g/mol
LogP2.70
Rot. Bonds6

About (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide

(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide (PubChem CID 79675580) has the molecular formula C12H13Cl2NO3 and a molecular weight of 290.15 g/mol. Its IUPAC name is (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide
PubChem CID79675580
Molecular FormulaC12H13Cl2NO3
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide
SMILESCOCCONC(=O)/C=C/c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C12H13Cl2NO3/c1-17-4-5-18-15-12(16)3-2-9-6-10(13)8-11(14)7-9/h2-3,6-8H,4-5H2,1H3,(H,15,16)/b3-2+
InChIKeyZPILISCYFZATJQ-NSCUHMNNSA-N
XLogP2.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(4-ethylphenyl)-N-(2-methoxyethoxy)prop-2-enamide
CID 79676613
(E)-3-(4-chlorophenyl)-N-(methoxymethoxy)prop-2-enamide
CID 110495511
(E)-3-(4-chlorophenyl)-N-[2-(methylamino)-2-oxoethoxy]prop-2-enamide
CID 110495665
(Z)-3-(3,5-dichlorophenyl)prop-2-enamide
CID 170876496
1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600794
(1E,4E)-1,5-bis(3,5-dichlorophenyl)penta-1,4-dien-3-one
CID 67600792
(E)-N-(2-methoxyethoxy)-3-(2-methylpyrazol-3-yl)prop-2-enamide
CID 79675864
(2R)-2-[3-(3,5-dichlorophenyl)prop-2-enoylamino]propanoic acid
CID 78972903
3-(3,5-dichlorophenyl)-N-(3-hydroxy-2-methylpropyl)prop-2-enamide
CID 77055769
(E)-3-(3,5-dichlorophenyl)-N-[(2R)-1-hydroxybutan-2-yl]prop-2-enamide
CID 113351938
3-(3,4-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
CID 4676391
(E)-3-(3,5-dichlorophenyl)prop-2-enoic acid
CID 6442148

Frequently Asked Questions

What is the IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide?
The IUPAC name of (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide (CID 79675580) is (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide.
What is the SMILES notation for (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide?
The canonical SMILES for (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide is COCCONC(=O)/C=C/c1cc(Cl)cc(Cl)c1.
What is the InChIKey of (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide?
The InChIKey is ZPILISCYFZATJQ-NSCUHMNNSA-N. The full InChI is InChI=1S/C12H13Cl2NO3/c1-17-4-5-18-15-12(16)3-2-9-6-10(13)8-11(14)7-9/h2-3,6-8H,4-5H2,1H3,(H,15,16)/b3-2+.
What are the key properties of (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide?
(E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide has a molecular weight of 290.15 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(3,5-dichlorophenyl)-N-(2-methoxyethoxy)prop-2-enamide is sourced from PubChem (CID 79675580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).