5-bromo-N-pentyl-1-benzofuran-2-carboxamide

C14H16BrNO2 — CID 19225268

IUPAC5-bromo-N-pentyl-1-benzofuran-2-carboxamide
SMILESCCCCCNC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H16BrNO2/c1-2-3-4-7-16-14(17)13-9-10-8-11(15)5-6-12(10)18-13/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)
InChIKeyWGKMNEIFCPJPSB-UHFFFAOYSA-N
MW310.19 g/mol
LogP4.12
Rot. Bonds5

About 5-bromo-N-pentyl-1-benzofuran-2-carboxamide

5-bromo-N-pentyl-1-benzofuran-2-carboxamide (PubChem CID 19225268) has the molecular formula C14H16BrNO2 and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-N-pentyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-pentyl-1-benzofuran-2-carboxamide
PubChem CID19225268
Molecular FormulaC14H16BrNO2
Molecular Weight310.19 g/mol
Exact Mass309.04
IUPAC Name5-bromo-N-pentyl-1-benzofuran-2-carboxamide
SMILESCCCCCNC(=O)c1cc2cc(Br)ccc2o1
InChIInChI=1S/C14H16BrNO2/c1-2-3-4-7-16-14(17)13-9-10-8-11(15)5-6-12(10)18-13/h5-6,8-9H,2-4,7H2,1H3,(H,16,17)
InChIKeyWGKMNEIFCPJPSB-UHFFFAOYSA-N
XLogP4.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-bromo-N-pentyl-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

5-amino-N-octyl-1-benzofuran-2-carboxamide
CID 115565943
N-(3-aminobutyl)-5-bromo-1-benzofuran-2-carboxamide;hydrochloride
CID 119494957
1-(5-bromo-1-benzofuran-2-yl)octane-1,3-dione
CID 43321144
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-1-benzofuran-2-carboxamide
CID 35760932
5-bromo-N-(4-pentoxyphenyl)-1-benzofuran-2-carboxamide
CID 19225305
5-bromo-N-pentan-2-yl-1-benzofuran-2-carboxamide
CID 46430131
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide
CID 120830399
5-bromo-N-butan-2-yl-1-benzofuran-2-carboxamide
CID 19225413
5-bromo-N-[2-(methylamino)propyl]-1-benzofuran-2-carboxamide;hydrochloride
CID 120830398
5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
1-(1-benzofuran-2-carbonylamino)-3-pentylthiourea
CID 9220418
N-(heptylcarbamoyl)-1-benzofuran-2-carboxamide
CID 59786869

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-pentyl-1-benzofuran-2-carboxamide?
The IUPAC name of 5-bromo-N-pentyl-1-benzofuran-2-carboxamide (CID 19225268) is 5-bromo-N-pentyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-bromo-N-pentyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-bromo-N-pentyl-1-benzofuran-2-carboxamide is CCCCCNC(=O)c1cc2cc(Br)ccc2o1.
What is the InChIKey of 5-bromo-N-pentyl-1-benzofuran-2-carboxamide?
The InChIKey is WGKMNEIFCPJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrNO2/c1-2-3-4-7-16-14(17)13-9-10-8-11(15)5-6-12(10)18-13/h5-6,8-9H,2-4,7H2,1H3,(H,16,17).
What are the key properties of 5-bromo-N-pentyl-1-benzofuran-2-carboxamide?
5-bromo-N-pentyl-1-benzofuran-2-carboxamide has a molecular weight of 310.19 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-pentyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 19225268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).