N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide

C17H14BrNO2 — CID 114315650

IUPACN-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C17H14BrNO2/c1-11(18)12-6-2-4-8-15(12)19-17(20)14-10-21-16-9-5-3-7-13(14)16/h2-11H,1H3,(H,19,20)
InChIKeyIPSWNFBNZJMKCA-UHFFFAOYSA-N
MW344.21 g/mol
LogP5.14
Rot. Bonds3

About N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide

N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide (PubChem CID 114315650) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound NameN-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
PubChem CID114315650
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC NameN-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide
SMILESCC(Br)c1ccccc1NC(=O)c1coc2ccccc12
InChIInChI=1S/C17H14BrNO2/c1-11(18)12-6-2-4-8-15(12)19-17(20)14-10-21-16-9-5-3-7-13(14)16/h2-11H,1H3,(H,19,20)
InChIKeyIPSWNFBNZJMKCA-UHFFFAOYSA-N
XLogP5.14
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.21
LogP ≤ 55.14
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-(bromomethyl)phenyl]-1-benzofuran-3-carboxamide
CID 114309814
N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315539
N-(4-amino-2,5-dimethylphenyl)-1-benzofuran-3-carboxamide
CID 103144519
N-[2-(1-bromoethyl)phenyl]furan-3-carboxamide
CID 114315425
N-[2-(1-bromoethyl)phenyl]-4-methylthiophene-3-carboxamide
CID 113275866
N-(4-bromopentyl)-1-benzofuran-3-carboxamide
CID 106131215
N-[(2R)-1-hydroxypropan-2-yl]-1-benzofuran-3-carboxamide
CID 79031060
N-(3-hydroxy-2-methylbutan-2-yl)-1-benzofuran-3-carboxamide
CID 115884333
N-[2-(1-bromoethyl)phenyl]-2,2-dimethylpropanamide
CID 114315470
N-[2-(1-bromoethyl)phenyl]-5-chloro-2-fluorobenzamide
CID 114315417
4-bromo-N-[2-(1-bromoethyl)phenyl]-2-hydroxybenzamide
CID 114315530
4-bromo-N-[2-(1-bromoethyl)phenyl]benzamide
CID 114315538

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide?
The IUPAC name of N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide (CID 114315650) is N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide.
What is the SMILES notation for N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide?
The canonical SMILES for N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide is CC(Br)c1ccccc1NC(=O)c1coc2ccccc12.
What is the InChIKey of N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide?
The InChIKey is IPSWNFBNZJMKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-11(18)12-6-2-4-8-15(12)19-17(20)14-10-21-16-9-5-3-7-13(14)16/h2-11H,1H3,(H,19,20).
What are the key properties of N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide?
N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-bromoethyl)phenyl]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 114315650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).