4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide

C13H13BrN2O3 — CID 84577585

IUPAC4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
SMILESO=CNCCCNC(=O)c1cc2c(Br)cccc2o1
InChIInChI=1S/C13H13BrN2O3/c14-10-3-1-4-11-9(10)7-12(19-11)13(18)16-6-2-5-15-8-17/h1,3-4,7-8H,2,5-6H2,(H,15,17)(H,16,18)
InChIKeyFEHAQXGLEUEECQ-UHFFFAOYSA-N
MW325.16 g/mol
LogP2.06
Rot. Bonds6

About 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide

4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide (PubChem CID 84577585) has the molecular formula C13H13BrN2O3 and a molecular weight of 325.16 g/mol. Its IUPAC name is 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
PubChem CID84577585
Molecular FormulaC13H13BrN2O3
Molecular Weight325.16 g/mol
Exact Mass324.01
IUPAC Name4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide
SMILESO=CNCCCNC(=O)c1cc2c(Br)cccc2o1
InChIInChI=1S/C13H13BrN2O3/c14-10-3-1-4-11-9(10)7-12(19-11)13(18)16-6-2-5-15-8-17/h1,3-4,7-8H,2,5-6H2,(H,15,17)(H,16,18)
InChIKeyFEHAQXGLEUEECQ-UHFFFAOYSA-N
XLogP2.06
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.16
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-N-[2-(4-bromophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529138
4-bromo-N-[2-(4-fluorophenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529086
4-bromo-N-[2-(2-methoxyphenyl)ethyl]-1-benzofuran-2-carboxamide
CID 112529275
N-(3-formamidopropyl)-3-methyl-1-benzofuran-2-carboxamide
CID 108793579
N-(3-formamidopropyl)furan-2-carboxamide
CID 110461151
3-(aminomethyl)-N-(3-formamidopropyl)benzamide
CID 82547191
N-[3-(ethylamino)propyl]-4-oxochromene-2-carboxamide
CID 43601604
N-[3-[(2-aminobenzoyl)amino]propyl]-1-benzofuran-2-carboxamide
CID 41448519
4-bromo-N-(3-fluorophenyl)-1-benzofuran-2-carboxamide
CID 84577804
4-bromo-N-pyrrolidin-3-yl-1-benzofuran-2-carboxamide
CID 112530743
N-butyl-4-oxochromene-2-carboxamide
CID 11253603
6-chloro-N-(3-formamidopropyl)pyridine-2-carboxamide
CID 84580412

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide (CID 84577585) is 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide is O=CNCCCNC(=O)c1cc2c(Br)cccc2o1.
What is the InChIKey of 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide?
The InChIKey is FEHAQXGLEUEECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN2O3/c14-10-3-1-4-11-9(10)7-12(19-11)13(18)16-6-2-5-15-8-17/h1,3-4,7-8H,2,5-6H2,(H,15,17)(H,16,18).
What are the key properties of 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide?
4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide has a molecular weight of 325.16 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-formamidopropyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 84577585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).