N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide

C12H15BrFNO3 — CID 106156181

IUPACN-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCOCC(CCBr)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H15BrFNO3/c1-18-7-9(4-5-13)15-12(17)10-6-8(14)2-3-11(10)16/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyFWAPBAHPKZAZCR-UHFFFAOYSA-N
MW320.16 g/mol
LogP2.06
Rot. Bonds6

About N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide

N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide (PubChem CID 106156181) has the molecular formula C12H15BrFNO3 and a molecular weight of 320.16 g/mol. Its IUPAC name is N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
PubChem CID106156181
Molecular FormulaC12H15BrFNO3
Molecular Weight320.16 g/mol
Exact Mass319.02
IUPAC NameN-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
SMILESCOCC(CCBr)NC(=O)c1cc(F)ccc1O
InChIInChI=1S/C12H15BrFNO3/c1-18-7-9(4-5-13)15-12(17)10-6-8(14)2-3-11(10)16/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17)
InChIKeyFWAPBAHPKZAZCR-UHFFFAOYSA-N
XLogP2.06
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.16
LogP ≤ 52.06
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-(4-bromo-1-methoxybutan-2-yl)-2,5-difluorobenzamide
CID 106156307
N-(4-amino-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide
CID 114150752
N-(4-chloro-1-methoxybutan-2-yl)-4-fluoro-2-hydroxybenzamide
CID 114151231
N-(4-bromo-1-methoxybutan-2-yl)-2-fluoro-5-methylbenzamide
CID 106156531
N-(4-bromo-1-methoxybutan-2-yl)-4-hydroxy-3-methylbenzamide
CID 106156204
2,5-dihydroxy-N-(4-hydroxy-1-methoxybutan-2-yl)benzamide
CID 114150801
N-(4-bromo-1-methoxybutan-2-yl)-2-(2,4-difluorophenyl)acetamide
CID 114151318
5-bromo-N-(4-chloro-1-methoxybutan-2-yl)-2-hydroxybenzamide
CID 106155756
N-(4-bromo-1-methoxybutan-2-yl)-3,4-difluorobenzamide
CID 114151343
N-(4-bromo-1-methoxybutan-2-yl)-2,4-dimethylbenzamide
CID 114151279
N-(4-bromo-1-methoxybutan-2-yl)-3-fluoropyridine-4-carboxamide
CID 106155981
N-(4-bromo-1-methoxybutan-2-yl)-3,4,5-trifluorobenzamide
CID 106156143

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide (CID 106156181) is N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide is COCC(CCBr)NC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is FWAPBAHPKZAZCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrFNO3/c1-18-7-9(4-5-13)15-12(17)10-6-8(14)2-3-11(10)16/h2-3,6,9,16H,4-5,7H2,1H3,(H,15,17).
What are the key properties of N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide?
N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 320.16 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-1-methoxybutan-2-yl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 106156181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).