N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide

C12H15ClFNO2 — CID 107016993

IUPACN-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(C)(CCCl)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15ClFNO2/c1-12(2,6-7-13)15-11(17)10-8(14)4-3-5-9(10)16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeySTCUKLQPIHGWCL-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.67
Rot. Bonds4

About N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide

N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107016993) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
PubChem CID107016993
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
SMILESCC(C)(CCCl)NC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15ClFNO2/c1-12(2,6-7-13)15-11(17)10-8(14)4-3-5-9(10)16/h3-5,16H,6-7H2,1-2H3,(H,15,17)
InChIKeySTCUKLQPIHGWCL-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.67
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-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016825
N-(1-chloro-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691058
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-(1-chloro-3-methylpentan-3-yl)-2,6-dihydroxybenzamide
CID 106168770
methyl 2-[(2-fluoro-6-hydroxybenzoyl)amino]-2-methylpentanoate
CID 104918520
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
CID 107016840
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(5-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107321513
N-(3,3-dimethyl-2-oxobutyl)-2-fluoro-6-hydroxybenzamide
CID 104920518
N-(1-bromo-2-methylpropan-2-yl)-2,6-dihydroxybenzamide
CID 107691089

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide (CID 107016993) is N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide is CC(C)(CCCl)NC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is STCUKLQPIHGWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-12(2,6-7-13)15-11(17)10-8(14)4-3-5-9(10)16/h3-5,16H,6-7H2,1-2H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide?
N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).