N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide

C15H18BrNO2 — CID 114311850

IUPACN-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCCCC1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18BrNO2/c16-12-3-1-2-4-13(12)17-15(18)11-5-6-14-10(9-11)7-8-19-14/h5-6,9,12-13H,1-4,7-8H2,(H,17,18)
InChIKeyWCLGZGHIEZZLFP-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.06
Rot. Bonds2

About N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide

N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide (PubChem CID 114311850) has the molecular formula C15H18BrNO2 and a molecular weight of 324.22 g/mol. Its IUPAC name is N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide.

Molecular Properties

Compound NameN-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
PubChem CID114311850
Molecular FormulaC15H18BrNO2
Molecular Weight324.22 g/mol
Exact Mass323.05
IUPAC NameN-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
SMILESO=C(NC1CCCCC1Br)c1ccc2c(c1)CCO2
InChIInChI=1S/C15H18BrNO2/c16-12-3-1-2-4-13(12)17-15(18)11-5-6-14-10(9-11)7-8-19-14/h5-6,9,12-13H,1-4,7-8H2,(H,17,18)
InChIKeyWCLGZGHIEZZLFP-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.06
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-(aminomethyl)cyclopentyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 62955860
N-cyclopropyl-2,3-dihydro-1-benzofuran-5-carboxamide
CID 71942700
N-[(2-bromocyclopentyl)methyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113275372
N-(4-chlorocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 114296800
N-(2-amino-1-cyclopentylethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 106737365
N-[3-(trifluoromethyl)cyclohexyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86925196
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
N-[(2S,3R)-6-oxo-2-phenylpiperidin-3-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 146130817
N-(2-cyclopentyl-2-hydroxyethyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 111426308
N-(2-bromocyclohexyl)-3-hydroxybenzamide
CID 114311869
3-bromo-N-(2-bromocycloheptyl)-4-methylbenzamide
CID 113395139
N-(2-bromocyclohexyl)-3-fluoro-4-methylbenzamide
CID 113275063

Frequently Asked Questions

What is the IUPAC name of N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The IUPAC name of N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide (CID 114311850) is N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide.
What is the SMILES notation for N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The canonical SMILES for N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide is O=C(NC1CCCCC1Br)c1ccc2c(c1)CCO2.
What is the InChIKey of N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
The InChIKey is WCLGZGHIEZZLFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrNO2/c16-12-3-1-2-4-13(12)17-15(18)11-5-6-14-10(9-11)7-8-19-14/h5-6,9,12-13H,1-4,7-8H2,(H,17,18).
What are the key properties of N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide?
N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide has a molecular weight of 324.22 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromocyclohexyl)-2,3-dihydro-1-benzofuran-5-carboxamide is sourced from PubChem (CID 114311850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).