7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide

C19H18BrNO2 — CID 38899371

IUPAC7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H18BrNO2/c1-11(2)14-8-4-6-12(3)17(14)21-19(22)16-10-13-7-5-9-15(20)18(13)23-16/h4-11H,1-3H3,(H,21,22)
InChIKeyLVZSNTQITDYZMB-UHFFFAOYSA-N
MW372.26 g/mol
LogP5.88
Rot. Bonds3

About 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide

7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide (PubChem CID 38899371) has the molecular formula C19H18BrNO2 and a molecular weight of 372.26 g/mol. Its IUPAC name is 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
PubChem CID38899371
Molecular FormulaC19H18BrNO2
Molecular Weight372.26 g/mol
Exact Mass371.05
IUPAC Name7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide
SMILESCc1cccc(C(C)C)c1NC(=O)c1cc2cccc(Br)c2o1
InChIInChI=1S/C19H18BrNO2/c1-11(2)14-8-4-6-12(3)17(14)21-19(22)16-10-13-7-5-9-15(20)18(13)23-16/h4-11H,1-3H3,(H,21,22)
InChIKeyLVZSNTQITDYZMB-UHFFFAOYSA-N
XLogP5.88
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.26
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-N-(2,3-dimethylphenyl)-1-benzofuran-2-carboxamide
CID 38885789
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
methyl 3-[(7-bromo-1-benzofuran-2-carbonyl)amino]-4-methylbenzoate
CID 38908619
7-bromo-N-(2-methylsulfanylphenyl)-1-benzofuran-2-carboxamide
CID 46450792
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
7-bromo-N-(5-methyl-1H-pyrazol-3-yl)-1-benzofuran-2-carboxamide
CID 47289802
7-bromo-N-[4-(tert-butylcarbamoyl)phenyl]-1-benzofuran-2-carboxamide
CID 38950605
N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 729062
N-(2-methyl-6-propan-2-ylphenyl)-4-sulfanylthiophene-2-carboxamide
CID 107020649
N-[1-(3-acetamidophenyl)ethyl]-7-bromo-1-benzofuran-2-carboxamide
CID 42960778
7-bromo-N-[3-(furan-2-carbonylamino)phenyl]-1-benzofuran-2-carboxamide
CID 38938788
7-bromo-N-(2,5-difluorophenyl)-1-benzofuran-2-carboxamide
CID 38897845

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide (CID 38899371) is 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide is Cc1cccc(C(C)C)c1NC(=O)c1cc2cccc(Br)c2o1.
What is the InChIKey of 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide?
The InChIKey is LVZSNTQITDYZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrNO2/c1-11(2)14-8-4-6-12(3)17(14)21-19(22)16-10-13-7-5-9-15(20)18(13)23-16/h4-11H,1-3H3,(H,21,22).
What are the key properties of 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide has a molecular weight of 372.26 g/mol, XLogP of 5.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(2-methyl-6-propan-2-ylphenyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 38899371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).