N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide

C16H18BrNO2 — CID 115364391

IUPACN-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1coc2ccccc12
InChIInChI=1S/C16H18BrNO2/c17-10-16(7-3-4-8-16)11-18-15(19)13-9-20-14-6-2-1-5-12(13)14/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,18,19)
InChIKeySZHUUDQMTXYNCJ-UHFFFAOYSA-N
MW336.23 g/mol
LogP4.12
Rot. Bonds4

About N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide

N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide (PubChem CID 115364391) has the molecular formula C16H18BrNO2 and a molecular weight of 336.23 g/mol. Its IUPAC name is N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
PubChem CID115364391
Molecular FormulaC16H18BrNO2
Molecular Weight336.23 g/mol
Exact Mass335.05
IUPAC NameN-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide
SMILESO=C(NCC1(CBr)CCCC1)c1coc2ccccc12
InChIInChI=1S/C16H18BrNO2/c17-10-16(7-3-4-8-16)11-18-15(19)13-9-20-14-6-2-1-5-12(13)14/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,18,19)
InChIKeySZHUUDQMTXYNCJ-UHFFFAOYSA-N
XLogP4.12
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.23
LogP ≤ 54.12
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

2-[1-[(1-benzofuran-3-carbonylamino)methyl]cyclobutyl]acetic acid
CID 81165190
N-[[1-(aminomethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 113313648
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-benzofuran-3-carboxamide
CID 115456089
N-[[4-(bromomethyl)phenyl]methyl]-1-benzofuran-3-carboxamide
CID 107233737
N-[[1-(bromomethyl)cyclopentyl]methyl]-2,3-dihydroxybenzamide
CID 114345326
N-[1-(aminomethyl)cyclopentyl]-1-benzofuran-3-carboxamide;hydrochloride
CID 119568451
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114315093
N-[4-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114310991
N-[[1-(bromomethyl)cyclopentyl]methyl]-3-hydroxy-2-methylbenzamide
CID 82830831
2-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]-3-fluorobenzamide
CID 115364185
N-[[1-(bromomethyl)cyclopropyl]methyl]-2,3-dihydroxybenzamide
CID 114345330
3-(1-benzofuran-3-carbonylamino)-2-hydroxypropanoic acid
CID 66165805

Frequently Asked Questions

What is the IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide (CID 115364391) is N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide is O=C(NCC1(CBr)CCCC1)c1coc2ccccc12.
What is the InChIKey of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide?
The InChIKey is SZHUUDQMTXYNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrNO2/c17-10-16(7-3-4-8-16)11-18-15(19)13-9-20-14-6-2-1-5-12(13)14/h1-2,5-6,9H,3-4,7-8,10-11H2,(H,18,19).
What are the key properties of N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide?
N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide has a molecular weight of 336.23 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(bromomethyl)cyclopentyl]methyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 115364391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).