N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide

C10H11BrFNO2 — CID 107016869

IUPACN-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CBr)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(5-11)13-10(15)9-7(12)3-2-4-8(9)14/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyKWFBYVGSKRREGP-UHFFFAOYSA-N
MW276.11 g/mol
LogP2.04
Rot. Bonds3

About N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107016869) has the molecular formula C10H11BrFNO2 and a molecular weight of 276.11 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID107016869
Molecular FormulaC10H11BrFNO2
Molecular Weight276.11 g/mol
Exact Mass275.00
IUPAC NameN-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CBr)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C10H11BrFNO2/c1-6(5-11)13-10(15)9-7(12)3-2-4-8(9)14/h2-4,6,14H,5H2,1H3,(H,13,15)
InChIKeyKWFBYVGSKRREGP-UHFFFAOYSA-N
XLogP2.04
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.11
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-aminopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107015862
N-(1-cyanopropan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 104917326
N-(1-bromopropan-2-yl)-2,6-difluoro-3-methylbenzamide
CID 82818849
N-(4-amino-3-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107017120
N-(4-bromo-3-methylbutan-2-yl)-2,6-dihydroxybenzamide
CID 107691210
2-fluoro-6-hydroxy-N-(1-pyrazol-1-ylpropan-2-yl)benzamide
CID 104916779
2,6-dihydroxy-N-pentan-2-ylbenzamide
CID 103890167
4-bromo-N-(1-bromopropan-2-yl)-2,6-difluorobenzamide
CID 114310689
2,6-difluoro-N-(6-methylheptan-2-yl)benzamide
CID 78789460
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
(3R)-3-[(2-bromo-6-fluorobenzoyl)amino]butanoic acid
CID 167751934
2,6-dihydroxy-N-(1-methoxypropan-2-yl)benzamide
CID 103748891

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 107016869) is N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide is CC(CBr)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is KWFBYVGSKRREGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO2/c1-6(5-11)13-10(15)9-7(12)3-2-4-8(9)14/h2-4,6,14H,5H2,1H3,(H,13,15).
What are the key properties of N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 276.11 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).