N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

C16H20BrNO2 — CID 106134784

IUPACN-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H20BrNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-4,11,13,15H,5-10H2,(H,18,19)
InChIKeyZQNOXFAJJRLSEA-UHFFFAOYSA-N
MW338.25 g/mol
LogP3.06
Rot. Bonds3

About N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide

N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 106134784) has the molecular formula C16H20BrNO2 and a molecular weight of 338.25 g/mol. Its IUPAC name is N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID106134784
Molecular FormulaC16H20BrNO2
Molecular Weight338.25 g/mol
Exact Mass337.07
IUPAC NameN-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESO=C(NCC1CCC(Br)CC1)C1Cc2ccccc2O1
InChIInChI=1S/C16H20BrNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-4,11,13,15H,5-10H2,(H,18,19)
InChIKeyZQNOXFAJJRLSEA-UHFFFAOYSA-N
XLogP3.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.25
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-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(cyanomethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60896123
N-[2-(dimethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698814
N-(cyclopropylmethyl)-3,4-dihydro-2H-chromene-3-carboxamide
CID 175826677
N-(cyclopropylmethyl)-5-sulfamoyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 65374640
N-[3-(2-methylpropoxy)propyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51073673
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 113295190
N-(furan-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 16649113
N-[2-(ethylamino)ethyl]-2,3-dihydro-1-benzofuran-2-carboxamide;hydrochloride
CID 119507846
N-[(2,6-difluorophenyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide
CID 112522518
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 24679615

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide (CID 106134784) is N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is O=C(NCC1CCC(Br)CC1)C1Cc2ccccc2O1.
What is the InChIKey of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is ZQNOXFAJJRLSEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrNO2/c17-13-7-5-11(6-8-13)10-18-16(19)15-9-12-3-1-2-4-14(12)20-15/h1-4,11,13,15H,5-10H2,(H,18,19).
What are the key properties of N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide?
N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 338.25 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromocyclohexyl)methyl]-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 106134784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).