N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide

C15H20BrNO2 — CID 80659567

IUPACN-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCN(CCBr)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H20BrNO2/c1-2-3-9-17(10-8-16)15(18)14-11-12-6-4-5-7-13(12)19-14/h4-7,14H,2-3,8-11H2,1H3
InChIKeyXGWINDSCOSIKAW-UHFFFAOYSA-N
MW326.23 g/mol
LogP3.01
Rot. Bonds6

About N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide

N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide (PubChem CID 80659567) has the molecular formula C15H20BrNO2 and a molecular weight of 326.23 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
PubChem CID80659567
Molecular FormulaC15H20BrNO2
Molecular Weight326.23 g/mol
Exact Mass325.07
IUPAC NameN-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide
SMILESCCCCN(CCBr)C(=O)C1Cc2ccccc2O1
InChIInChI=1S/C15H20BrNO2/c1-2-3-9-17(10-8-16)15(18)14-11-12-6-4-5-7-13(12)19-14/h4-7,14H,2-3,8-11H2,1H3
InChIKeyXGWINDSCOSIKAW-UHFFFAOYSA-N
XLogP3.01
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.23
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-butyl-N-methyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698834
N-(2-aminoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 61350079
N-benzyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 110698818
N-(2-cyanoethyl)-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 54992715
N-(azetidin-3-yl)-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 66215662
N-piperidin-4-yl-N-propyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 60806589
N-ethyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 106609150
N-cyclopentyl-N-ethyl-2,3-dihydro-1-benzofuran-2-carboxamide
CID 134060952
N-(3-bromopropyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133562
N-(2-bromoethyl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 43133406
N-(5-butyl-1,3,4-thiadiazol-2-yl)-2,3-dihydro-1-benzofuran-2-carboxamide
CID 51230111
2-[2,3-dihydro-1-benzofuran-2-carbonyl(propan-2-yl)amino]acetic acid
CID 60831340

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The IUPAC name of N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide (CID 80659567) is N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide is CCCCN(CCBr)C(=O)C1Cc2ccccc2O1.
What is the InChIKey of N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide?
The InChIKey is XGWINDSCOSIKAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrNO2/c1-2-3-9-17(10-8-16)15(18)14-11-12-6-4-5-7-13(12)19-14/h4-7,14H,2-3,8-11H2,1H3.
What are the key properties of N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide?
N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide has a molecular weight of 326.23 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-butyl-2,3-dihydro-1-benzofuran-2-carboxamide is sourced from PubChem (CID 80659567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).