7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide

C14H17BrN2O2 — CID 55100770

IUPAC7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCCCNCCNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H17BrN2O2/c1-2-6-16-7-8-17-14(18)12-9-10-4-3-5-11(15)13(10)19-12/h3-5,9,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyAUEFSOHTEPFXTC-UHFFFAOYSA-N
MW325.21 g/mol
LogP2.92
Rot. Bonds6

About 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide

7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 55100770) has the molecular formula C14H17BrN2O2 and a molecular weight of 325.21 g/mol. Its IUPAC name is 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID55100770
Molecular FormulaC14H17BrN2O2
Molecular Weight325.21 g/mol
Exact Mass324.05
IUPAC Name7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESCCCNCCNC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H17BrN2O2/c1-2-6-16-7-8-17-14(18)12-9-10-4-3-5-11(15)13(10)19-12/h3-5,9,16H,2,6-8H2,1H3,(H,17,18)
InChIKeyAUEFSOHTEPFXTC-UHFFFAOYSA-N
XLogP2.92
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.21
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
7-bromo-N-[3-(propylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 46465492
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484
7-bromo-N-[2-(3-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 38930964
2-[2-[(7-bromo-1-benzofuran-2-carbonyl)amino]ethoxy]acetic acid
CID 79457540
7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 47031357
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
2-[(7-bromo-1-benzofuran-2-carbonyl)amino]pentanoic acid
CID 61389922
5-chloro-N-[2-(propylamino)ethyl]furan-2-carboxamide
CID 62659012

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide (CID 55100770) is 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide is CCCNCCNC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is AUEFSOHTEPFXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O2/c1-2-6-16-7-8-17-14(18)12-9-10-4-3-5-11(15)13(10)19-12/h3-5,9,16H,2,6-8H2,1H3,(H,17,18).
What are the key properties of 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 325.21 g/mol, XLogP of 2.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 55100770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).