N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide

C15H18BrNO3 — CID 106307633

IUPACN-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCOCCBr)cc2c1
InChIInChI=1S/C15H18BrNO3/c1-11-3-4-13-12(9-11)10-14(20-13)15(18)17-6-2-7-19-8-5-16/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)
InChIKeyBWFFYRYRAXZUON-UHFFFAOYSA-N
MW340.22 g/mol
LogP3.27
Rot. Bonds7

About N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide

N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide (PubChem CID 106307633) has the molecular formula C15H18BrNO3 and a molecular weight of 340.22 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
PubChem CID106307633
Molecular FormulaC15H18BrNO3
Molecular Weight340.22 g/mol
Exact Mass339.05
IUPAC NameN-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide
SMILESCc1ccc2oc(C(=O)NCCCOCCBr)cc2c1
InChIInChI=1S/C15H18BrNO3/c1-11-3-4-13-12(9-11)10-14(20-13)15(18)17-6-2-7-19-8-5-16/h3-4,9-10H,2,5-8H2,1H3,(H,17,18)
InChIKeyBWFFYRYRAXZUON-UHFFFAOYSA-N
XLogP3.27
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
CID 114171461
N-(4-amino-4-sulfanylidenebutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 55101977
N-[3-(2-bromoethoxy)propyl]-2-(4-methylphenyl)acetamide
CID 106307754
N-[3-(2-bromoethoxy)propyl]-2-chloro-4-methylbenzamide
CID 106307690
N-(3-chlorobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 113272749
5-methyl-N-[3-(2H-tetrazol-5-yl)propyl]-1-benzofuran-2-carboxamide
CID 71855698
N-(2-chloropropyl)-5-methyl-1-benzofuran-2-carboxamide
CID 114296664
N-(1-bromo-3-methoxypropan-2-yl)-5-methyl-1-benzofuran-2-carboxamide
CID 106184484
N-(3-bromopropyl)-N-cyclobutyl-5-methyl-1-benzofuran-2-carboxamide
CID 102872366
N-(2-aminobutyl)-5-methyl-1-benzofuran-2-carboxamide
CID 63731357
N-[3-(2-bromoethoxy)propyl]-5-methyl-2-nitrobenzamide
CID 106307487
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide (CID 106307633) is N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide is Cc1ccc2oc(C(=O)NCCCOCCBr)cc2c1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide?
The InChIKey is BWFFYRYRAXZUON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO3/c1-11-3-4-13-12(9-11)10-14(20-13)15(18)17-6-2-7-19-8-5-16/h3-4,9-10H,2,5-8H2,1H3,(H,17,18).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide?
N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-bromoethoxy)propyl]-5-methyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106307633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).