N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide

C17H14BrNO2 — CID 80999240

IUPACN-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H14BrNO2/c1-2-11-9-13(18)7-8-14(11)19-17(20)16-10-12-5-3-4-6-15(12)21-16/h3-10H,2H2,1H3,(H,19,20)
InChIKeyDGLDHPFQIKHERG-UHFFFAOYSA-N
MW344.21 g/mol
LogP5.01
Rot. Bonds3

About N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide

N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 80999240) has the molecular formula C17H14BrNO2 and a molecular weight of 344.21 g/mol. Its IUPAC name is N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
PubChem CID80999240
Molecular FormulaC17H14BrNO2
Molecular Weight344.21 g/mol
Exact Mass343.02
IUPAC NameN-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide
SMILESCCc1cc(Br)ccc1NC(=O)c1cc2ccccc2o1
InChIInChI=1S/C17H14BrNO2/c1-2-11-9-13(18)7-8-14(11)19-17(20)16-10-12-5-3-4-6-15(12)21-16/h3-10H,2H2,1H3,(H,19,20)
InChIKeyDGLDHPFQIKHERG-UHFFFAOYSA-N
XLogP5.01
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 ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-N-(2,6-diethylphenyl)-1-benzofuran-2-carboxamide
CID 19225293
N-[2-(methylaminomethyl)phenyl]-1-benzofuran-2-carboxamide
CID 43600967
N-(3-bromophenyl)-1-benzofuran-2-carboxamide
CID 802478
N-(4-bromo-2-ethylphenyl)-1,2-oxazole-5-carboxamide
CID 114286938
N-(4-amino-3,5-dibromo-2-methylphenyl)-1-benzofuran-2-carboxamide
CID 17274047
N-(4-bromo-2-ethylphenyl)-2-methylbenzamide
CID 81003246
5-bromo-N-(2-chlorophenyl)-1-benzofuran-2-carboxamide
CID 2988849
3,4-bis(1-benzofuran-2-carbonylamino)benzoic acid
CID 17296766
N-(2-amino-4-chlorophenyl)-1-benzofuran-2-carboxamide
CID 24697022
N-[2-methyl-4-(methylamino)phenyl]-1-benzofuran-2-carboxamide
CID 91677835
5-bromo-N-(2,4-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 19225280
N-(2-ethylphenyl)-7-methyl-1-benzofuran-2-carboxamide
CID 48981916

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide (CID 80999240) is N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide is CCc1cc(Br)ccc1NC(=O)c1cc2ccccc2o1.
What is the InChIKey of N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is DGLDHPFQIKHERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO2/c1-2-11-9-13(18)7-8-14(11)19-17(20)16-10-12-5-3-4-6-15(12)21-16/h3-10H,2H2,1H3,(H,19,20).
What are the key properties of N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide?
N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 344.21 g/mol, XLogP of 5.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-ethylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 80999240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).