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

C14H16BrNO3 — CID 114171461

IUPACN-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCOCCBr)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO3/c15-6-9-18-8-3-7-16-14(17)13-10-11-4-1-2-5-12(11)19-13/h1-2,4-5,10H,3,6-9H2,(H,16,17)
InChIKeyMMOMPYNOVDKVEO-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.96
Rot. Bonds7

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

N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide (PubChem CID 114171461) has the molecular formula C14H16BrNO3 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
PubChem CID114171461
Molecular FormulaC14H16BrNO3
Molecular Weight326.19 g/mol
Exact Mass325.03
IUPAC NameN-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCCOCCBr)c1cc2ccccc2o1
InChIInChI=1S/C14H16BrNO3/c15-6-9-18-8-3-7-16-14(17)13-10-11-4-1-2-5-12(11)19-13/h1-2,4-5,10H,3,6-9H2,(H,16,17)
InChIKeyMMOMPYNOVDKVEO-UHFFFAOYSA-N
XLogP2.96
TPSA51.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.96
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]-5-methyl-1-benzofuran-2-carboxamide
CID 106307633
N-(3-iodopropyl)-1-benzofuran-2-carboxamide
CID 114504013
N-[2-(2-methylprop-2-enoxy)ethyl]-1-benzofuran-2-carboxamide
CID 115699680
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
N-[3-(2-bromoethoxy)propyl]furan-2-carboxamide
CID 106307618
N-[2-(3-methoxypropylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 6493124
N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529204
N-[2-(propan-2-ylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62659751
N-[3-(2-bromoethoxy)propyl]-2-hydroxybenzamide
CID 106307317
N-[2-[(4-methoxybenzoyl)amino]ethyl]-1-benzofuran-2-carboxamide
CID 71480807
N-(4-bromo-2,2-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 106143875
N-(4-bromo-2-methylbutyl)-1-benzofuran-2-carboxamide
CID 113276116

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide (CID 114171461) is N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide is O=C(NCCCOCCBr)c1cc2ccccc2o1.
What is the InChIKey of N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide?
The InChIKey is MMOMPYNOVDKVEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO3/c15-6-9-18-8-3-7-16-14(17)13-10-11-4-1-2-5-12(11)19-13/h1-2,4-5,10H,3,6-9H2,(H,16,17).
What are the key properties of N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide?
N-[3-(2-bromoethoxy)propyl]-1-benzofuran-2-carboxamide has a molecular weight of 326.19 g/mol, XLogP of 2.96, 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]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 114171461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).