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

C11H12BrNO2 — CID 43133406

IUPACN-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCBr)C1Cc2ccccc2O1
InChIInChI=1S/C11H12BrNO2/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyRFCDGDTXEUABSY-UHFFFAOYSA-N
MW270.13 g/mol
LogP1.50
Rot. Bonds3

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

N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 43133406) has the molecular formula C11H12BrNO2 and a molecular weight of 270.13 g/mol. Its IUPAC name is N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID43133406
Molecular FormulaC11H12BrNO2
Molecular Weight270.13 g/mol
Exact Mass269.01
IUPAC NameN-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCCBr)C1Cc2ccccc2O1
InChIInChI=1S/C11H12BrNO2/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10/h1-4,10H,5-7H2,(H,13,14)
InChIKeyRFCDGDTXEUABSY-UHFFFAOYSA-N
XLogP1.50
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
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-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-[4-(N-methylanilino)butyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60566180
N-(2-pyridin-3-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 47153707
N-(2-piperazin-1-ylethyl)-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119447753
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide (CID 43133406) is N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCCBr)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is RFCDGDTXEUABSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO2/c12-5-6-13-11(14)10-7-8-3-1-2-4-9(8)15-10/h1-4,10H,5-7H2,(H,13,14).
What are the key properties of N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 270.13 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 43133406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).