N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

C15H18BrNO2 — CID 114313869

IUPACN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NCC1CCCC1Br)C1COc2ccccc21
InChIInChI=1S/C15H18BrNO2/c16-13-6-3-4-10(13)8-17-15(18)12-9-19-14-7-2-1-5-11(12)14/h1-2,5,7,10,12-13H,3-4,6,8-9H2,(H,17,18)
InChIKeyAKWZKXKLEXCWGO-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.84
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide

N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (PubChem CID 114313869) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
PubChem CID114313869
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
SMILESO=C(NCC1CCCC1Br)C1COc2ccccc21
InChIInChI=1S/C15H18BrNO2/c16-13-6-3-4-10(13)8-17-15(18)12-9-19-14-7-2-1-5-11(12)14/h1-2,5,7,10,12-13H,3-4,6,8-9H2,(H,17,18)
InChIKeyAKWZKXKLEXCWGO-UHFFFAOYSA-N
XLogP2.84
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.84
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-[(2-bromocyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
CID 113275363
N-[2-(hydroxymethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 103759058
N-[[3-(bromomethyl)phenyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 114313112
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1H-indene-2-carboxamide
CID 106894271
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65123924
N-(2-amino-2-hydroxyiminoethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 77020893
N-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylmethyl)-2,3-dihydro-1-benzofuran-3-carboxamide
CID 126777115
N-[(2-bromocyclopentyl)methyl]-2-phenylacetamide
CID 114313710
(3R)-N-[(1R,2R)-2-carbamoylcyclopentyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 124734322
N-[(2-bromocyclopentyl)methyl]cyclopropanecarboxamide
CID 114313732
bis(2,3-dihydro-1-benzofuran-3-yl)methanone
CID 174352835
N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2,3-dihydro-1-benzofuran-3-carboxamide
CID 80710510

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide (CID 114313869) is N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is O=C(NCC1CCCC1Br)C1COc2ccccc21.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
The InChIKey is AKWZKXKLEXCWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-6-3-4-10(13)8-17-15(18)12-9-19-14-7-2-1-5-11(12)14/h1-2,5,7,10,12-13H,3-4,6,8-9H2,(H,17,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide?
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-3-carboxamide is sourced from PubChem (CID 114313869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).