N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

C15H18BrNO2 — CID 113275372

IUPACN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCC1CCCC1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18BrNO2/c16-13-3-1-2-12(13)9-17-15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8,12-13H,1-3,6-7,9H2,(H,17,18)
InChIKeyLWSXJRGQCPONCN-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.91
Rot. Bonds3

About N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide

N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 113275372) 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-5-carboxamide.

Molecular Properties

Compound NameN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID113275372
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NCC1CCCC1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18BrNO2/c16-13-3-1-2-12(13)9-17-15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8,12-13H,1-3,6-7,9H2,(H,17,18)
InChIKeyLWSXJRGQCPONCN-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
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]-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 114313884
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114311850
N-[(4-hydroxycyclohexyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106124041
N-[(2-bromocyclopentyl)methyl]-3-chloro-4-iodobenzamide
CID 103212533
4-bromo-N-[(2-bromocyclopentyl)methyl]-3-fluorobenzamide
CID 113275433
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-[2-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
4-bromo-N-[(2-bromocyclohexyl)methyl]benzamide
CID 113275135
N-[3-(cyclopropylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62201269
N-[2-(methylamino)propyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103512682
N-[(2-bromocyclopentyl)methyl]pyridine-4-carboxamide
CID 114313873

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide (CID 113275372) is N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NCC1CCCC1Br)c1ccc2c(c1)CCO2.
What is the InChIKey of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is LWSXJRGQCPONCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-13-3-1-2-12(13)9-17-15(18)11-4-5-14-10(8-11)6-7-19-14/h4-5,8,12-13H,1-3,6-7,9H2,(H,17,18).
What are the key properties of N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide?
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 2.91, 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-5-carboxamide is sourced from PubChem (CID 113275372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).