3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide

C18H16BrNO2 — CID 174883918

IUPAC3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide
SMILESCc1coc2ccc(NC(=O)CCc3ccc(Br)cc3)cc12
InChIInChI=1S/C18H16BrNO2/c1-12-11-22-17-8-7-15(10-16(12)17)20-18(21)9-4-13-2-5-14(19)6-3-13/h2-3,5-8,10-11H,4,9H2,1H3,(H,20,21)
InChIKeyWONKDWXTDUOUOE-UHFFFAOYSA-N
MW358.24 g/mol
LogP5.08
Rot. Bonds4

About 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide

3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide (PubChem CID 174883918) has the molecular formula C18H16BrNO2 and a molecular weight of 358.24 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide
PubChem CID174883918
Molecular FormulaC18H16BrNO2
Molecular Weight358.24 g/mol
Exact Mass357.04
IUPAC Name3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide
SMILESCc1coc2ccc(NC(=O)CCc3ccc(Br)cc3)cc12
InChIInChI=1S/C18H16BrNO2/c1-12-11-22-17-8-7-15(10-16(12)17)20-18(21)9-4-13-2-5-14(19)6-3-13/h2-3,5-8,10-11H,4,9H2,1H3,(H,20,21)
InChIKeyWONKDWXTDUOUOE-UHFFFAOYSA-N
XLogP5.08
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.24
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide?
The IUPAC name of 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide (CID 174883918) is 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide is Cc1coc2ccc(NC(=O)CCc3ccc(Br)cc3)cc12.
What is the InChIKey of 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide?
The InChIKey is WONKDWXTDUOUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrNO2/c1-12-11-22-17-8-7-15(10-16(12)17)20-18(21)9-4-13-2-5-14(19)6-3-13/h2-3,5-8,10-11H,4,9H2,1H3,(H,20,21).
What are the key properties of 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide?
3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide has a molecular weight of 358.24 g/mol, XLogP of 5.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-(3-methyl-1-benzofuran-5-yl)propanamide is sourced from PubChem (CID 174883918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).