2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide

C17H19Cl2NO2 — CID 57328632

IUPAC2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCC(C)C)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C17H19Cl2NO2/c1-4-11-9-22-16(12-5-6-13(18)14(19)7-12)15(11)17(21)20-8-10(2)3/h4-7,10,16H,1,8-9H2,2-3H3,(H,20,21)
InChIKeyGZCOQFRSCGAMJT-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.32
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide

2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide (PubChem CID 57328632) has the molecular formula C17H19Cl2NO2 and a molecular weight of 340.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
PubChem CID57328632
Molecular FormulaC17H19Cl2NO2
Molecular Weight340.25 g/mol
Exact Mass339.08
IUPAC Name2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide
SMILESC=CC1=C(C(=O)NCC(C)C)C(c2ccc(Cl)c(Cl)c2)OC1
InChIInChI=1S/C17H19Cl2NO2/c1-4-11-9-22-16(12-5-6-13(18)14(19)7-12)15(11)17(21)20-8-10(2)3/h4-7,10,16H,1,8-9H2,2-3H3,(H,20,21)
InChIKeyGZCOQFRSCGAMJT-UHFFFAOYSA-N
XLogP4.32
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide?
The IUPAC name of 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide (CID 57328632) is 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide?
The canonical SMILES for 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide is C=CC1=C(C(=O)NCC(C)C)C(c2ccc(Cl)c(Cl)c2)OC1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide?
The InChIKey is GZCOQFRSCGAMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl2NO2/c1-4-11-9-22-16(12-5-6-13(18)14(19)7-12)15(11)17(21)20-8-10(2)3/h4-7,10,16H,1,8-9H2,2-3H3,(H,20,21).
What are the key properties of 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide?
2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide has a molecular weight of 340.25 g/mol, XLogP of 4.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-4-ethenyl-N-(2-methylpropyl)-2,5-dihydrofuran-3-carboxamide is sourced from PubChem (CID 57328632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).