3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide

C15H12BrCl2NO2 — CID 47093669

IUPAC3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C15H12BrCl2NO2/c1-19(9-10-3-2-4-12(17)15(10)18)14(20)8-6-11-5-7-13(16)21-11/h2-8H,9H2,1H3
InChIKeyDTDNVACDPFJPQG-UHFFFAOYSA-N
MW389.08 g/mol
LogP5.02
Rot. Bonds4

About 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide

3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide (PubChem CID 47093669) has the molecular formula C15H12BrCl2NO2 and a molecular weight of 389.08 g/mol. Its IUPAC name is 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide.

Molecular Properties

Compound Name3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide
PubChem CID47093669
Molecular FormulaC15H12BrCl2NO2
Molecular Weight389.08 g/mol
Exact Mass386.94
IUPAC Name3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide
SMILESCN(Cc1cccc(Cl)c1Cl)C(=O)C=Cc1ccc(Br)o1
InChIInChI=1S/C15H12BrCl2NO2/c1-19(9-10-3-2-4-12(17)15(10)18)14(20)8-6-11-5-7-13(16)21-11/h2-8H,9H2,1H3
InChIKeyDTDNVACDPFJPQG-UHFFFAOYSA-N
XLogP5.02
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.08
LogP ≤ 55.02
H-Bond Donors ≤ 50
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 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide?
The IUPAC name of 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide (CID 47093669) is 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide.
What is the SMILES notation for 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide?
The canonical SMILES for 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide is CN(Cc1cccc(Cl)c1Cl)C(=O)C=Cc1ccc(Br)o1.
What is the InChIKey of 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide?
The InChIKey is DTDNVACDPFJPQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrCl2NO2/c1-19(9-10-3-2-4-12(17)15(10)18)14(20)8-6-11-5-7-13(16)21-11/h2-8H,9H2,1H3.
What are the key properties of 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide?
3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide has a molecular weight of 389.08 g/mol, XLogP of 5.02, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromofuran-2-yl)-N-[(2,3-dichlorophenyl)methyl]-N-methylprop-2-enamide is sourced from PubChem (CID 47093669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).