N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

C12H14BrNO2 — CID 43133562

IUPACN-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCCBr)C1Cc2ccccc2O1
InChIInChI=1S/C12H14BrNO2/c13-6-3-7-14-12(15)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,11H,3,6-8H2,(H,14,15)
InChIKeyHYQPVCYJVCWWIC-UHFFFAOYSA-N
MW284.15 g/mol
LogP1.89
Rot. Bonds4

About N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide

N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 43133562) has the molecular formula C12H14BrNO2 and a molecular weight of 284.15 g/mol. Its IUPAC name is N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID43133562
Molecular FormulaC12H14BrNO2
Molecular Weight284.15 g/mol
Exact Mass283.02
IUPAC NameN-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCCBr)C1Cc2ccccc2O1
InChIInChI=1S/C12H14BrNO2/c13-6-3-7-14-12(15)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,11H,3,6-8H2,(H,14,15)
InChIKeyHYQPVCYJVCWWIC-UHFFFAOYSA-N
XLogP1.89
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
(2R)-N-[2-(4-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 9081021
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(furan-2-carbonylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42943335
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106134784
N-[(1-phenylcyclopropyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 42938379
N-(3-methylbutan-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47127876
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119447753

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 43133562) is N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCCBr)C1Cc2ccccc2O1.
What is the InChIKey of N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is HYQPVCYJVCWWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrNO2/c13-6-3-7-14-12(15)11-8-9-4-1-2-5-10(9)16-11/h1-2,4-5,11H,3,6-8H2,(H,14,15).
What are the key properties of N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 284.15 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43133562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).