6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide

C14H18BrNO3 — CID 171369269

IUPAC6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCOCC2)c1C
InChIInChI=1S/C14H18BrNO3/c1-9-12(18-2)4-3-11(15)13(9)14(17)16-10-5-7-19-8-6-10/h3-4,10H,5-8H2,1-2H3,(H,16,17)
InChIKeyCTWRZYNNKKXATE-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.67
Rot. Bonds3

About 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide

6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide (PubChem CID 171369269) has the molecular formula C14H18BrNO3 and a molecular weight of 328.21 g/mol. Its IUPAC name is 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide.

Molecular Properties

Compound Name6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide
PubChem CID171369269
Molecular FormulaC14H18BrNO3
Molecular Weight328.21 g/mol
Exact Mass327.05
IUPAC Name6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide
SMILESCOc1ccc(Br)c(C(=O)NC2CCOCC2)c1C
InChIInChI=1S/C14H18BrNO3/c1-9-12(18-2)4-3-11(15)13(9)14(17)16-10-5-7-19-8-6-10/h3-4,10H,5-8H2,1-2H3,(H,16,17)
InChIKeyCTWRZYNNKKXATE-UHFFFAOYSA-N
XLogP2.67
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-cyclopropyl-6-methoxybenzamide
CID 171934573
2-amino-N-(3-bromo-4-methoxyphenyl)-2-(oxan-4-yl)acetamide
CID 120791756
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
2,6-dimethoxy-N-[4-(methylamino)cyclohexyl]benzamide
CID 43653176
4-(3,4-dimethoxyphenyl)-2-methylsulfonyl-N-(oxan-4-yl)pyrimidine-5-carboxamide
CID 142592643
2,4-dibromo-N-(oxan-4-yl)benzamide
CID 103882568
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-(1-benzylpiperidin-4-yl)-3-bromo-2-hydroxy-6-methoxybenzamide
CID 15167739
3-bromo-N-(2,2-dimethyloxan-4-yl)-4-methoxybenzamide
CID 115563924
2-(4-bromo-3-methylanilino)-N-(oxan-4-yl)acetamide
CID 63098146
3-fluoro-4-methoxy-N-(oxolan-3-yl)benzamide
CID 86780875
2-hydroxy-4-methoxy-N-(oxan-4-yl)benzamide
CID 43610298

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide?
The IUPAC name of 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide (CID 171369269) is 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide.
What is the SMILES notation for 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide?
The canonical SMILES for 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide is COc1ccc(Br)c(C(=O)NC2CCOCC2)c1C.
What is the InChIKey of 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide?
The InChIKey is CTWRZYNNKKXATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrNO3/c1-9-12(18-2)4-3-11(15)13(9)14(17)16-10-5-7-19-8-6-10/h3-4,10H,5-8H2,1-2H3,(H,16,17).
What are the key properties of 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide?
6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide has a molecular weight of 328.21 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methoxy-2-methyl-N-(oxan-4-yl)benzamide is sourced from PubChem (CID 171369269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).