(E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

C14H15Cl2NO2 — CID 5336643

IUPAC(E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C14H15Cl2NO2/c15-11-5-3-10(13(16)8-11)4-6-14(18)17-9-12-2-1-7-19-12/h3-6,8,12H,1-2,7,9H2,(H,17,18)/b6-4+
InChIKeyGHYZYUBMVGOBEA-GQCTYLIASA-N
MW300.19 g/mol
LogP3.30
Rot. Bonds4

About (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide

(E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (PubChem CID 5336643) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
PubChem CID5336643
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name(E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide
SMILESO=C(/C=C/c1ccc(Cl)cc1Cl)NCC1CCCO1
InChIInChI=1S/C14H15Cl2NO2/c15-11-5-3-10(13(16)8-11)4-6-14(18)17-9-12-2-1-7-19-12/h3-6,8,12H,1-2,7,9H2,(H,17,18)/b6-4+
InChIKeyGHYZYUBMVGOBEA-GQCTYLIASA-N
XLogP3.30
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.30
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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Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The IUPAC name of (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide (CID 5336643) is (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide.
What is the SMILES notation for (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The canonical SMILES for (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is O=C(/C=C/c1ccc(Cl)cc1Cl)NCC1CCCO1.
What is the InChIKey of (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
The InChIKey is GHYZYUBMVGOBEA-GQCTYLIASA-N. The full InChI is InChI=1S/C14H15Cl2NO2/c15-11-5-3-10(13(16)8-11)4-6-14(18)17-9-12-2-1-7-19-12/h3-6,8,12H,1-2,7,9H2,(H,17,18)/b6-4+.
What are the key properties of (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide?
(E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide has a molecular weight of 300.19 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-dichlorophenyl)-N-(oxolan-2-ylmethyl)prop-2-enamide is sourced from PubChem (CID 5336643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).