N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide

C12H15ClFNO2 — CID 107016961

IUPACN-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)C(C)(C)CCl
InChIInChI=1S/C12H15ClFNO2/c1-12(2,7-13)15(3)11(17)10-8(14)5-4-6-9(10)16/h4-6,16H,7H2,1-3H3
InChIKeyAVNZGXLJWJQSCQ-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.62
Rot. Bonds3

About N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide

N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide (PubChem CID 107016961) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide
PubChem CID107016961
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide
SMILESCN(C(=O)c1c(O)cccc1F)C(C)(C)CCl
InChIInChI=1S/C12H15ClFNO2/c1-12(2,7-13)15(3)11(17)10-8(14)5-4-6-9(10)16/h4-6,16H,7H2,1-3H3
InChIKeyAVNZGXLJWJQSCQ-UHFFFAOYSA-N
XLogP2.62
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-6-hydroxy-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylbenzamide
CID 107015376
2-fluoro-6-hydroxy-N-(2-hydroxy-2-methylpropyl)-N-methylbenzamide
CID 104919951
N-(2-bromopropyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107016757
N-(1-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016825
2-fluoro-6-hydroxy-N-methyl-N-(3-methylbutan-2-yl)benzamide
CID 104917662
N-(2-amino-2-sulfanylideneethyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107014890
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
2-fluoro-6-hydroxy-N-(5-hydroxy-2,2-dimethylpentyl)benzamide
CID 104920591
N-(4-ethylphenyl)-2-fluoro-6-hydroxy-N-methylbenzamide
CID 107015209
N-(4-chloro-2-methylbutan-2-yl)-2-fluoro-6-hydroxybenzamide
CID 107016993
N-(2-chloroethyl)-N-cyclobutyl-2-fluoro-6-hydroxybenzamide
CID 107017040

Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The IUPAC name of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide (CID 107016961) is N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide.
What is the SMILES notation for N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The canonical SMILES for N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide is CN(C(=O)c1c(O)cccc1F)C(C)(C)CCl.
What is the InChIKey of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide?
The InChIKey is AVNZGXLJWJQSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-12(2,7-13)15(3)11(17)10-8(14)5-4-6-9(10)16/h4-6,16H,7H2,1-3H3.
What are the key properties of N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide?
N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2-methylpropan-2-yl)-2-fluoro-6-hydroxy-N-methylbenzamide is sourced from PubChem (CID 107016961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).