N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide

C11H14BrNO3 — CID 107726128

IUPACN-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H14BrNO3/c1-7(6-12)13(2)11(16)9-4-3-8(14)5-10(9)15/h3-5,7,14-15H,6H2,1-2H3
InChIKeyBQIYIELYRLSGCP-UHFFFAOYSA-N
MW288.14 g/mol
LogP1.95
Rot. Bonds3

About N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide

N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide (PubChem CID 107726128) has the molecular formula C11H14BrNO3 and a molecular weight of 288.14 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
PubChem CID107726128
Molecular FormulaC11H14BrNO3
Molecular Weight288.14 g/mol
Exact Mass287.02
IUPAC NameN-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide
SMILESCC(CBr)N(C)C(=O)c1ccc(O)cc1O
InChIInChI=1S/C11H14BrNO3/c1-7(6-12)13(2)11(16)9-4-3-8(14)5-10(9)15/h3-5,7,14-15H,6H2,1-2H3
InChIKeyBQIYIELYRLSGCP-UHFFFAOYSA-N
XLogP1.95
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-bromopropan-2-yl)-2,5-dihydroxy-N-methylbenzamide
CID 107726127
4-bromo-N-(1-bromopropan-2-yl)-N,2-dimethylbenzamide
CID 104556235
4-bromo-N-(1-chloropropan-2-yl)-2-hydroxy-N-methylbenzamide
CID 104555603
2-amino-5-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 107074456
4-bromo-N-(1-bromopropan-2-yl)-2-chloro-N-methylbenzamide
CID 104556236
2-hydroxy-4-methoxy-N-methyl-N-pentan-2-ylbenzamide
CID 43430281
N-(1-bromopropan-2-yl)-3-chloro-4-hydroxy-N-methylbenzamide
CID 104555993
N-(3-bromo-2-methylpropyl)-2,4-dihydroxybenzamide
CID 107726046
2-fluoro-4-hydroxy-N-methyl-N-pentan-2-ylbenzamide
CID 113355617
4-chloro-2-hydroxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 54942659
2,5-dihydroxy-N-methyl-N-pentan-3-ylbenzamide
CID 107722395
N-(1-bromopropan-2-yl)-N,2,3-trimethylbenzamide
CID 104556144

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide (CID 107726128) is N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide is CC(CBr)N(C)C(=O)c1ccc(O)cc1O.
What is the InChIKey of N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide?
The InChIKey is BQIYIELYRLSGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3/c1-7(6-12)13(2)11(16)9-4-3-8(14)5-10(9)15/h3-5,7,14-15H,6H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide?
N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide has a molecular weight of 288.14 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2,4-dihydroxy-N-methylbenzamide is sourced from PubChem (CID 107726128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).