N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide

C13H17ClFNO2 — CID 106142770

IUPACN-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
SMILESCC(C)(CCCl)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H17ClFNO2/c1-13(2,5-6-14)8-16-12(18)10-7-9(15)3-4-11(10)17/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyFHRLRDXWQZEEQH-UHFFFAOYSA-N
MW273.73 g/mol
LogP2.92
Rot. Bonds5

About N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide

N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide (PubChem CID 106142770) has the molecular formula C13H17ClFNO2 and a molecular weight of 273.73 g/mol. Its IUPAC name is N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide.

Molecular Properties

Compound NameN-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
PubChem CID106142770
Molecular FormulaC13H17ClFNO2
Molecular Weight273.73 g/mol
Exact Mass273.09
IUPAC NameN-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
SMILESCC(C)(CCCl)CNC(=O)c1cc(F)ccc1O
InChIInChI=1S/C13H17ClFNO2/c1-13(2,5-6-14)8-16-12(18)10-7-9(15)3-4-11(10)17/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18)
InChIKeyFHRLRDXWQZEEQH-UHFFFAOYSA-N
XLogP2.92
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.73
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
N-(5-chloro-2,2-dimethylpentyl)-2,5-difluorobenzamide
CID 106144423
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692
5-chloro-N-(4-chloro-2,2-dimethylbutyl)-2-fluorobenzamide
CID 106143106
5-bromo-N-(5-chloro-2,2-dimethylpentyl)-2-hydroxybenzamide
CID 114149605
N-ethyl-5-fluoro-2-hydroxybenzamide
CID 79531934
N-(4-chloro-2,2-dimethylbutyl)-2,3,4-trifluorobenzamide
CID 106142636
N-(4-chloro-2-methylbutyl)-5-fluoro-2-hydroxybenzamide
CID 115299603
2-bromo-5-fluoro-N-(4-hydroxy-2,2-dimethylbutyl)benzamide
CID 113258866
N-(5-chloro-2,2-dimethylpentyl)-5-fluoro-2-nitrobenzamide
CID 106144371
2-bromo-N-(3-chloro-2,2-dimethylpropyl)-5-fluorobenzamide
CID 115364720
N-(4-chloro-2,2-dimethylbutyl)-2-fluoro-3-methylbenzamide
CID 114149338

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide?
The IUPAC name of N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide (CID 106142770) is N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide.
What is the SMILES notation for N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide?
The canonical SMILES for N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide is CC(C)(CCCl)CNC(=O)c1cc(F)ccc1O.
What is the InChIKey of N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide?
The InChIKey is FHRLRDXWQZEEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClFNO2/c1-13(2,5-6-14)8-16-12(18)10-7-9(15)3-4-11(10)17/h3-4,7,17H,5-6,8H2,1-2H3,(H,16,18).
What are the key properties of N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide?
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide has a molecular weight of 273.73 g/mol, XLogP of 2.92, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide is sourced from PubChem (CID 106142770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).