N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide

C11H14BrNO4 — CID 106184915

IUPACN-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
SMILESCOCC(CBr)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H14BrNO4/c1-17-6-7(5-12)13-11(16)10-8(14)3-2-4-9(10)15/h2-4,7,14-15H,5-6H2,1H3,(H,13,16)
InChIKeySVUMHLQLMHKCCX-UHFFFAOYSA-N
MW304.14 g/mol
LogP1.24
Rot. Bonds5

About N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide

N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide (PubChem CID 106184915) has the molecular formula C11H14BrNO4 and a molecular weight of 304.14 g/mol. Its IUPAC name is N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
PubChem CID106184915
Molecular FormulaC11H14BrNO4
Molecular Weight304.14 g/mol
Exact Mass303.01
IUPAC NameN-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
SMILESCOCC(CBr)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C11H14BrNO4/c1-17-6-7(5-12)13-11(16)10-8(14)3-2-4-9(10)15/h2-4,7,14-15H,5-6H2,1H3,(H,13,16)
InChIKeySVUMHLQLMHKCCX-UHFFFAOYSA-N
XLogP1.24
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-3-methoxypropan-2-yl)-2-methyl-6-nitrobenzamide
CID 106184128
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
N-(1-bromo-3-methoxypropan-2-yl)-2-hydroxy-3-methoxybenzamide
CID 106184198
N-(1-bromo-3-methoxypropan-2-yl)-2,3-dimethylbenzamide
CID 106183783
N-(1-bromo-3-methoxypropan-2-yl)-2,3-difluorobenzamide
CID 106183792
N-(1-bromo-3-phenylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691100
N-(1-chloro-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 106183536
N-(1-amino-3-methoxypropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 114154757
N-(1-bromo-3-methoxypropan-2-yl)-3-methoxybenzamide
CID 106183814
N-(1-bromo-4-methoxybutan-2-yl)-2,3-dihydroxybenzamide
CID 114211990
4-bromo-N-(1-bromo-3-methoxypropan-2-yl)-2,6-difluorobenzamide
CID 114155269
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide (CID 106184915) is N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide is COCC(CBr)NC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide?
The InChIKey is SVUMHLQLMHKCCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO4/c1-17-6-7(5-12)13-11(16)10-8(14)3-2-4-9(10)15/h2-4,7,14-15H,5-6H2,1H3,(H,13,16).
What are the key properties of N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide?
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide has a molecular weight of 304.14 g/mol, XLogP of 1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 106184915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).