N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide

C13H14ClNO2 — CID 19611639

IUPACN-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide
SMILESCC(=O)NCCCc1c(Cl)ccc2occc12
InChIInChI=1S/C13H14ClNO2/c1-9(16)15-7-2-3-10-11-6-8-17-13(11)5-4-12(10)14/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeyHSLRZMMBJYNYLW-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.15
Rot. Bonds4

About N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide

N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide (PubChem CID 19611639) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide.

Molecular Properties

Compound NameN-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide
PubChem CID19611639
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC NameN-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide
SMILESCC(=O)NCCCc1c(Cl)ccc2occc12
InChIInChI=1S/C13H14ClNO2/c1-9(16)15-7-2-3-10-11-6-8-17-13(11)5-4-12(10)14/h4-6,8H,2-3,7H2,1H3,(H,15,16)
InChIKeyHSLRZMMBJYNYLW-UHFFFAOYSA-N
XLogP3.15
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide?
The IUPAC name of N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide (CID 19611639) is N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide.
What is the SMILES notation for N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide?
The canonical SMILES for N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide is CC(=O)NCCCc1c(Cl)ccc2occc12.
What is the InChIKey of N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide?
The InChIKey is HSLRZMMBJYNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9(16)15-7-2-3-10-11-6-8-17-13(11)5-4-12(10)14/h4-6,8H,2-3,7H2,1H3,(H,15,16).
What are the key properties of N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide?
N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide has a molecular weight of 251.71 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloro-1-benzofuran-4-yl)propyl]acetamide is sourced from PubChem (CID 19611639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).