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

C14H15BrN2O2 — CID 62663828

IUPAC7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCNC1CC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H15BrN2O2/c15-11-3-1-2-9-8-12(19-13(9)11)14(18)17-7-6-16-10-4-5-10/h1-3,8,10,16H,4-7H2,(H,17,18)
InChIKeyMZMBHSQWWGNHJA-UHFFFAOYSA-N
MW323.19 g/mol
LogP2.68
Rot. Bonds5

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

7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide (PubChem CID 62663828) has the molecular formula C14H15BrN2O2 and a molecular weight of 323.19 g/mol. Its IUPAC name is 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
PubChem CID62663828
Molecular FormulaC14H15BrN2O2
Molecular Weight323.19 g/mol
Exact Mass322.03
IUPAC Name7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCNC1CC1)c1cc2cccc(Br)c2o1
InChIInChI=1S/C14H15BrN2O2/c15-11-3-1-2-9-8-12(19-13(9)11)14(18)17-7-6-16-10-4-5-10/h1-3,8,10,16H,4-7H2,(H,17,18)
InChIKeyMZMBHSQWWGNHJA-UHFFFAOYSA-N
XLogP2.68
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 52.68
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-(4-methylcyclohexyl)-1-benzofuran-2-carboxamide
CID 38911138
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
7-bromo-N-(3-oxo-3-pyrrolidin-1-ylpropyl)-1-benzofuran-2-carboxamide
CID 47031357
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
N-(1-benzylpiperidin-4-yl)-7-bromo-1-benzofuran-2-carboxamide
CID 55688262
7-bromo-N-cyclopentyloxy-1-benzofuran-2-carboxamide
CID 83202941
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
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102914484

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide (CID 62663828) is 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide is O=C(NCCNC1CC1)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is MZMBHSQWWGNHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O2/c15-11-3-1-2-9-8-12(19-13(9)11)14(18)17-7-6-16-10-4-5-10/h1-3,8,10,16H,4-7H2,(H,17,18).
What are the key properties of 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide?
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 323.19 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 62663828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).