N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide

C12H16BrNO3 — CID 107691210

IUPACN-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
SMILESCC(CBr)C(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H16BrNO3/c1-7(6-13)8(2)14-12(17)11-9(15)4-3-5-10(11)16/h3-5,7-8,15-16H,6H2,1-2H3,(H,14,17)
InChIKeyMCTTVXGHDDQHJP-UHFFFAOYSA-N
MW302.17 g/mol
LogP2.25
Rot. Bonds4

About N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide

N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide (PubChem CID 107691210) has the molecular formula C12H16BrNO3 and a molecular weight of 302.17 g/mol. Its IUPAC name is N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
PubChem CID107691210
Molecular FormulaC12H16BrNO3
Molecular Weight302.17 g/mol
Exact Mass301.03
IUPAC NameN-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
SMILESCC(CBr)C(C)NC(=O)c1c(O)cccc1O
InChIInChI=1S/C12H16BrNO3/c1-7(6-13)8(2)14-12(17)11-9(15)4-3-5-10(11)16/h3-5,7-8,15-16H,6H2,1-2H3,(H,14,17)
InChIKeyMCTTVXGHDDQHJP-UHFFFAOYSA-N
XLogP2.25
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 52.25
H-Bond Donors ≤ 53
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-fluoro-6-hydroxybenzamide
CID 107016869
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
N-(1-bromo-3-methoxypropan-2-yl)-2,6-dihydroxybenzamide
CID 106184915
2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
N-(1-bromo-3-phenylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691100
2,6-dihydroxy-N-(1-iodo-3-methylbutan-2-yl)benzamide
CID 107859798
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891
2,6-dihydroxy-N-[1-(methylamino)-1-oxopropan-2-yl]benzamide
CID 103890339
2,6-dihydroxy-N-[1-oxo-1-(propan-2-ylamino)propan-2-yl]benzamide
CID 107689580
N-heptan-2-yl-2,6-dihydroxybenzamide
CID 103748986
2,6-dihydroxy-N-pent-4-en-2-ylbenzamide
CID 103890504
N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691089

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide?
The IUPAC name of N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide (CID 107691210) is N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide.
What is the SMILES notation for N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide?
The canonical SMILES for N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide is CC(CBr)C(C)NC(=O)c1c(O)cccc1O.
What is the InChIKey of N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide?
The InChIKey is MCTTVXGHDDQHJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNO3/c1-7(6-13)8(2)14-12(17)11-9(15)4-3-5-10(11)16/h3-5,7-8,15-16H,6H2,1-2H3,(H,14,17).
What are the key properties of N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide?
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide has a molecular weight of 302.17 g/mol, XLogP of 2.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide is sourced from PubChem (CID 107691210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).