7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide

C17H22BrNO2 — CID 102914484

IUPAC7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cc2cccc(Br)c2o1)C(C)C
InChIInChI=1S/C17H22BrNO2/c1-10(2)13(11(3)4)9-19-17(20)15-8-12-6-5-7-14(18)16(12)21-15/h5-8,10-11,13H,9H2,1-4H3,(H,19,20)
InChIKeyBKCURRRXNQOYER-UHFFFAOYSA-N
MW352.27 g/mol
LogP4.85
Rot. Bonds5

About 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide

7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide (PubChem CID 102914484) has the molecular formula C17H22BrNO2 and a molecular weight of 352.27 g/mol. Its IUPAC name is 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
PubChem CID102914484
Molecular FormulaC17H22BrNO2
Molecular Weight352.27 g/mol
Exact Mass351.08
IUPAC Name7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
SMILESCC(C)C(CNC(=O)c1cc2cccc(Br)c2o1)C(C)C
InChIInChI=1S/C17H22BrNO2/c1-10(2)13(11(3)4)9-19-17(20)15-8-12-6-5-7-14(18)16(12)21-15/h5-8,10-11,13H,9H2,1-4H3,(H,19,20)
InChIKeyBKCURRRXNQOYER-UHFFFAOYSA-N
XLogP4.85
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-7-bromo-1-benzofuran-2-carboxamide
CID 38885383
(2S)-2-[(7-bromo-1-benzofuran-2-carbonyl)amino]-3-methylbutanoic acid
CID 61389773
7-bromo-N-[2-(propylamino)ethyl]-1-benzofuran-2-carboxamide
CID 55100770
4-[(7-bromo-1-benzofuran-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107832339
N-[(4-aminophenyl)methyl]-7-bromo-1-benzofuran-2-carboxamide
CID 116650020
7-bromo-N-[2-(2-methoxyethylamino)ethyl]-1-benzofuran-2-carboxamide
CID 82993657
7-bromo-N-[(5-chlorothiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 46460415
7-bromo-N-[2-(cyclopropylamino)ethyl]-1-benzofuran-2-carboxamide
CID 62663828
7-bromo-N-[(2-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 39709859
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
N-(4-acetamidophenyl)-7-bromo-1-benzofuran-2-carboxamide
CID 39705718
2-methyl-3-[(7-methyl-1-benzofuran-2-carbonyl)amino]propanoic acid
CID 71915499

Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide (CID 102914484) is 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide is CC(C)C(CNC(=O)c1cc2cccc(Br)c2o1)C(C)C.
What is the InChIKey of 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
The InChIKey is BKCURRRXNQOYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrNO2/c1-10(2)13(11(3)4)9-19-17(20)15-8-12-6-5-7-14(18)16(12)21-15/h5-8,10-11,13H,9H2,1-4H3,(H,19,20).
What are the key properties of 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide?
7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide has a molecular weight of 352.27 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 102914484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).