2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide

C15H18ClNO2 — CID 18872161

IUPAC2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1coc2cc(C)c(Cl)c(C)c12
InChIInChI=1S/C15H18ClNO2/c1-4-5-17-13(18)7-11-8-19-12-6-9(2)15(16)10(3)14(11)12/h6,8H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyOJFZAVMHHANFCE-UHFFFAOYSA-N
MW279.77 g/mol
LogP3.77
Rot. Bonds4

About 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide

2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide (PubChem CID 18872161) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide.

Molecular Properties

Compound Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
PubChem CID18872161
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide
SMILESCCCNC(=O)Cc1coc2cc(C)c(Cl)c(C)c12
InChIInChI=1S/C15H18ClNO2/c1-4-5-17-13(18)7-11-8-19-12-6-9(2)15(16)10(3)14(11)12/h6,8H,4-5,7H2,1-3H3,(H,17,18)
InChIKeyOJFZAVMHHANFCE-UHFFFAOYSA-N
XLogP3.77
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide?
The IUPAC name of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide (CID 18872161) is 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide.
What is the SMILES notation for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide?
The canonical SMILES for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide is CCCNC(=O)Cc1coc2cc(C)c(Cl)c(C)c12.
What is the InChIKey of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide?
The InChIKey is OJFZAVMHHANFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-4-5-17-13(18)7-11-8-19-12-6-9(2)15(16)10(3)14(11)12/h6,8H,4-5,7H2,1-3H3,(H,17,18).
What are the key properties of 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide?
2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide has a molecular weight of 279.77 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4,6-dimethyl-1-benzofuran-3-yl)-N-propylacetamide is sourced from PubChem (CID 18872161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).