3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide

C17H11Cl4NO2 — CID 68551474

IUPAC3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)C(Cc1cc2cc(Cl)cc(Cl)c2o1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl4NO2/c18-10-3-9-4-11(24-16(9)15(21)6-10)7-12(17(22)23)8-1-2-13(19)14(20)5-8/h1-6,12H,7H2,(H2,22,23)
InChIKeyURTWQWHEHCTLCK-UHFFFAOYSA-N
MW403.09 g/mol
LogP5.86
Rot. Bonds4

About 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide

3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide (PubChem CID 68551474) has the molecular formula C17H11Cl4NO2 and a molecular weight of 403.09 g/mol. Its IUPAC name is 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide
PubChem CID68551474
Molecular FormulaC17H11Cl4NO2
Molecular Weight403.09 g/mol
Exact Mass400.95
IUPAC Name3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide
SMILESNC(=O)C(Cc1cc2cc(Cl)cc(Cl)c2o1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C17H11Cl4NO2/c18-10-3-9-4-11(24-16(9)15(21)6-10)7-12(17(22)23)8-1-2-13(19)14(20)5-8/h1-6,12H,7H2,(H2,22,23)
InChIKeyURTWQWHEHCTLCK-UHFFFAOYSA-N
XLogP5.86
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.09
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide (CID 68551474) is 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide is NC(=O)C(Cc1cc2cc(Cl)cc(Cl)c2o1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide?
The InChIKey is URTWQWHEHCTLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl4NO2/c18-10-3-9-4-11(24-16(9)15(21)6-10)7-12(17(22)23)8-1-2-13(19)14(20)5-8/h1-6,12H,7H2,(H2,22,23).
What are the key properties of 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide?
3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide has a molecular weight of 403.09 g/mol, XLogP of 5.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,7-dichloro-1-benzofuran-2-yl)-2-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 68551474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).