(E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide

C13H15Cl2NO2 — CID 2169831

IUPAC(E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-18-9-3-8-16-13(17)7-6-10-11(14)4-2-5-12(10)15/h2,4-7H,3,8-9H2,1H3,(H,16,17)/b7-6+
InChIKeyNMJKXTDJKLGBJV-VOTSOKGWSA-N
MW288.17 g/mol
LogP3.16
Rot. Bonds6

About (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide

(E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide (PubChem CID 2169831) has the molecular formula C13H15Cl2NO2 and a molecular weight of 288.17 g/mol. Its IUPAC name is (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
PubChem CID2169831
Molecular FormulaC13H15Cl2NO2
Molecular Weight288.17 g/mol
Exact Mass287.05
IUPAC Name(E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide
SMILESCOCCCNC(=O)/C=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C13H15Cl2NO2/c1-18-9-3-8-16-13(17)7-6-10-11(14)4-2-5-12(10)15/h2,4-7H,3,8-9H2,1H3,(H,16,17)/b7-6+
InChIKeyNMJKXTDJKLGBJV-VOTSOKGWSA-N
XLogP3.16
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.17
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide (CID 2169831) is (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide is COCCCNC(=O)/C=C/c1c(Cl)cccc1Cl.
What is the InChIKey of (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
The InChIKey is NMJKXTDJKLGBJV-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H15Cl2NO2/c1-18-9-3-8-16-13(17)7-6-10-11(14)4-2-5-12(10)15/h2,4-7H,3,8-9H2,1H3,(H,16,17)/b7-6+.
What are the key properties of (E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide?
(E)-3-(2,6-dichlorophenyl)-N-(3-methoxypropyl)prop-2-enamide has a molecular weight of 288.17 g/mol, XLogP of 3.16, 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-(3-methoxypropyl)prop-2-enamide is sourced from PubChem (CID 2169831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).