N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide

C12H15ClFNO2 — CID 107016840

IUPACN-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15ClFNO2/c1-8(5-6-13)7-15-12(17)11-9(14)3-2-4-10(11)16/h2-4,8,16H,5-7H2,1H3,(H,15,17)
InChIKeyPMHQNMXGKJNHQQ-UHFFFAOYSA-N
MW259.71 g/mol
LogP2.53
Rot. Bonds5

About N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide

N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide (PubChem CID 107016840) has the molecular formula C12H15ClFNO2 and a molecular weight of 259.71 g/mol. Its IUPAC name is N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
PubChem CID107016840
Molecular FormulaC12H15ClFNO2
Molecular Weight259.71 g/mol
Exact Mass259.08
IUPAC NameN-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide
SMILESCC(CCCl)CNC(=O)c1c(O)cccc1F
InChIInChI=1S/C12H15ClFNO2/c1-8(5-6-13)7-15-12(17)11-9(14)3-2-4-10(11)16/h2-4,8,16H,5-7H2,1H3,(H,15,17)
InChIKeyPMHQNMXGKJNHQQ-UHFFFAOYSA-N
XLogP2.53
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.71
LogP ≤ 52.53
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

2-chloro-N-(4-chloro-2-methylbutyl)-6-fluorobenzamide
CID 114306163
N-(3-amino-2-methylpropyl)-2-fluoro-6-hydroxybenzamide
CID 107012883
2-fluoro-6-hydroxy-N-[(2R)-2-hydroxypropyl]benzamide
CID 104920570
2-fluoro-6-hydroxy-N-(3-methyl-2-propan-2-ylbutyl)benzamide
CID 107015409
N-(4-chloro-2-methylbutyl)-3-hydroxy-2-methylbenzamide
CID 82831055
N-(2-chloroethyl)-2-fluoro-6-hydroxybenzamide
CID 107016788
N-(2-chloropentyl)-2-fluoro-6-hydroxybenzamide
CID 107016981
N-(2,2-difluoroethyl)-2-fluoro-6-hydroxybenzamide
CID 104917965
2-fluoro-6-hydroxy-N-(2,3,3-trimethylbutyl)benzamide
CID 104917625
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
N-(2-bromopentyl)-2-fluoro-6-hydroxybenzamide
CID 107016983
N-(4-chloro-2-methylbutyl)-2,5-difluorobenzamide
CID 114306301

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide?
The IUPAC name of N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide (CID 107016840) is N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide?
The canonical SMILES for N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide is CC(CCCl)CNC(=O)c1c(O)cccc1F.
What is the InChIKey of N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide?
The InChIKey is PMHQNMXGKJNHQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2/c1-8(5-6-13)7-15-12(17)11-9(14)3-2-4-10(11)16/h2-4,8,16H,5-7H2,1H3,(H,15,17).
What are the key properties of N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide?
N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide has a molecular weight of 259.71 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylbutyl)-2-fluoro-6-hydroxybenzamide is sourced from PubChem (CID 107016840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).