N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide

C14H11BrN2O2 — CID 113262838

IUPACN-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1COc2ccccc21
InChIInChI=1S/C14H11BrN2O2/c15-13-6-5-9(7-16-13)17-14(18)11-8-19-12-4-2-1-3-10(11)12/h1-7,11H,8H2,(H,17,18)
InChIKeySLKWWPYZDXSCEY-UHFFFAOYSA-N
MW319.16 g/mol
LogP2.96
Rot. Bonds2

About N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide

N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 113262838) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID113262838
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC NameN-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(Nc1ccc(Br)nc1)C1COc2ccccc21
InChIInChI=1S/C14H11BrN2O2/c15-13-6-5-9(7-16-13)17-14(18)11-8-19-12-4-2-1-3-10(11)12/h1-7,11H,8H2,(H,17,18)
InChIKeySLKWWPYZDXSCEY-UHFFFAOYSA-N
XLogP2.96
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 167869501
N-(3-amino-4-bromophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 79767886
N-(6-morpholin-4-yl-3-pyridinyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 126784589
N-(4-methyl-1H-pyrazol-5-yl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 112691407
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-(6-bromo-3-pyridinyl)-5-methyloxolane-3-carboxamide
CID 102676297
N-(3-amino-5-fluorophenyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 107334144
(2R,5S)-5-[(6-bromo-3-pyridinyl)carbamoyl]oxolane-2-carboxylic acid
CID 114051447
(3S)-N-[2-[(1S)-1-cyclopropylethyl]pyrazol-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 96538964
N-(6-bromo-3-pyridinyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 103789368
N-(3-amino-4-bromophenyl)-3,4-dihydro-2H-chromene-4-carboxamide
CID 79754301
N-(6-fluoro-3-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 103789852

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide (CID 113262838) is N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(Nc1ccc(Br)nc1)C1COc2ccccc21.
What is the InChIKey of N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is SLKWWPYZDXSCEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-13-6-5-9(7-16-13)17-14(18)11-8-19-12-4-2-1-3-10(11)12/h1-7,11H,8H2,(H,17,18).
What are the key properties of N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide?
N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 319.16 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-3-pyridinyl)-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 113262838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).