2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

C16H14Br2N2O2 — CID 167856806

IUPAC2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCN1CCOc2ccc(NC(=O)c3c(Br)cccc3Br)cc21
InChIInChI=1S/C16H14Br2N2O2/c1-20-7-8-22-14-6-5-10(9-13(14)20)19-16(21)15-11(17)3-2-4-12(15)18/h2-6,9H,7-8H2,1H3,(H,19,21)
InChIKeyDYWBYADXJBRMNM-UHFFFAOYSA-N
MW426.11 g/mol
LogP4.29
Rot. Bonds2

About 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide

2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (PubChem CID 167856806) has the molecular formula C16H14Br2N2O2 and a molecular weight of 426.11 g/mol. Its IUPAC name is 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.

Molecular Properties

Compound Name2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
PubChem CID167856806
Molecular FormulaC16H14Br2N2O2
Molecular Weight426.11 g/mol
Exact Mass423.94
IUPAC Name2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
SMILESCN1CCOc2ccc(NC(=O)c3c(Br)cccc3Br)cc21
InChIInChI=1S/C16H14Br2N2O2/c1-20-7-8-22-14-6-5-10(9-13(14)20)19-16(21)15-11(17)3-2-4-12(15)18/h2-6,9H,7-8H2,1H3,(H,19,21)
InChIKeyDYWBYADXJBRMNM-UHFFFAOYSA-N
XLogP4.29
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.11
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)benzamide
CID 110412580
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)furan-2-carboxamide
CID 110639535
2-chloro-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110639571
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)thiophene-2-carboxamide
CID 110639536
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)pyridine-2-carboxamide
CID 110744724
4-(dimethylamino)-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110744732
2-methyl-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 110639526
2,6-dimethoxy-N-(4-methylsulfonyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide
CID 110412866
3-amino-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)propanamide
CID 83626295
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)-4-(trifluoromethyl)benzamide
CID 110412476
N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)morpholine-4-carboxamide
CID 110639589
N-(4-acetyl-2,3-dihydro-1,4-benzoxazin-6-yl)-2-bromobenzamide
CID 110639759

Frequently Asked Questions

What is the IUPAC name of 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The IUPAC name of 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide (CID 167856806) is 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide.
What is the SMILES notation for 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The canonical SMILES for 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is CN1CCOc2ccc(NC(=O)c3c(Br)cccc3Br)cc21.
What is the InChIKey of 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
The InChIKey is DYWBYADXJBRMNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Br2N2O2/c1-20-7-8-22-14-6-5-10(9-13(14)20)19-16(21)15-11(17)3-2-4-12(15)18/h2-6,9H,7-8H2,1H3,(H,19,21).
What are the key properties of 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide?
2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide has a molecular weight of 426.11 g/mol, XLogP of 4.29, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dibromo-N-(4-methyl-2,3-dihydro-1,4-benzoxazin-6-yl)benzamide is sourced from PubChem (CID 167856806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).