4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide

C16H14BrClN2O2 — CID 97065065

IUPAC4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)NC[C@H]2Cc3ccccc3O2)c(Br)c1Cl
InChIInChI=1S/C16H14BrClN2O2/c1-9-15(18)14(17)12(8-19-9)16(21)20-7-11-6-10-4-2-3-5-13(10)22-11/h2-5,8,11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyVSELVKRSGHIBDD-LLVKDONJSA-N
MW381.66 g/mol
LogP3.54
Rot. Bonds3

About 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide

4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 97065065) has the molecular formula C16H14BrClN2O2 and a molecular weight of 381.66 g/mol. Its IUPAC name is 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID97065065
Molecular FormulaC16H14BrClN2O2
Molecular Weight381.66 g/mol
Exact Mass379.99
IUPAC Name4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCc1ncc(C(=O)NC[C@H]2Cc3ccccc3O2)c(Br)c1Cl
InChIInChI=1S/C16H14BrClN2O2/c1-9-15(18)14(17)12(8-19-9)16(21)20-7-11-6-10-4-2-3-5-13(10)22-11/h2-5,8,11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1
InChIKeyVSELVKRSGHIBDD-LLVKDONJSA-N
XLogP3.54
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.66
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide with MolForge

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Related Compounds

N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2-fluoro-3-methylbenzamide
CID 80710892
2-amino-5-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-3-carboxamide
CID 62232676
5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)furan-2-carboxamide
CID 46400999
2-amino-5-chloro-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 61140365
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 37298471
3-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylbenzamide
CID 104852428
3,5-dibromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)benzamide
CID 107980334
2-bromo-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-6-fluorobenzamide
CID 115678361
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-(methylamino)pyrazine-2-carboxamide
CID 107375386
N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 39236485
5-cyano-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 63719130
5-bromo-N-[2-(2,3-dihydro-1-benzofuran-2-ylmethylcarbamoyl)phenyl]-N-methylfuran-2-carboxamide
CID 55965542

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide (CID 97065065) is 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide is Cc1ncc(C(=O)NC[C@H]2Cc3ccccc3O2)c(Br)c1Cl.
What is the InChIKey of 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is VSELVKRSGHIBDD-LLVKDONJSA-N. The full InChI is InChI=1S/C16H14BrClN2O2/c1-9-15(18)14(17)12(8-19-9)16(21)20-7-11-6-10-4-2-3-5-13(10)22-11/h2-5,8,11H,6-7H2,1H3,(H,20,21)/t11-/m1/s1.
What are the key properties of 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide?
4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 381.66 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-chloro-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 97065065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).