4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide

C13H18FNO3 — CID 81003078

IUPAC4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FNO3/c1-4-13(2,17)8-15-12(16)9-5-6-10(14)11(7-9)18-3/h5-7,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyFREZKRYCSDLSRR-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.73
Rot. Bonds5

About 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide

4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide (PubChem CID 81003078) has the molecular formula C13H18FNO3 and a molecular weight of 255.29 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
PubChem CID81003078
Molecular FormulaC13H18FNO3
Molecular Weight255.29 g/mol
Exact Mass255.13
IUPAC Name4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
SMILESCCC(C)(O)CNC(=O)c1ccc(F)c(OC)c1
InChIInChI=1S/C13H18FNO3/c1-4-13(2,17)8-15-12(16)9-5-6-10(14)11(7-9)18-3/h5-7,17H,4,8H2,1-3H3,(H,15,16)
InChIKeyFREZKRYCSDLSRR-UHFFFAOYSA-N
XLogP1.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide 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

4-amino-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide
CID 104783009
4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65107691
3-amino-4-ethoxy-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103916
N-(2-bromoethyl)-4-fluoro-3-methoxybenzamide
CID 81284787
4-fluoro-3-methoxy-N-prop-2-enylbenzamide
CID 80948629
3-[(3-fluoro-4-methoxybenzoyl)amino]-2-hydroxy-2-methylpropanoic acid
CID 66172564
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-3,4-difluorobenzamide
CID 110445671
N-(3-bromopropyl)-4-fluoro-3-methoxybenzamide
CID 81284858
N-[2-(4-chlorophenyl)-2-hydroxypropyl]-3,4-dimethoxybenzamide
CID 110291508
N-(2-hydroxy-2-methylbutyl)-4-methylbenzamide
CID 65109665
N-(2-hydroxy-2-methylbutyl)-2,4-dimethoxybenzamide
CID 65114811
4-fluoro-N-(3-hydroxybutyl)-3-methoxybenzamide
CID 81002545

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide (CID 81003078) is 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide is CCC(C)(O)CNC(=O)c1ccc(F)c(OC)c1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
The InChIKey is FREZKRYCSDLSRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO3/c1-4-13(2,17)8-15-12(16)9-5-6-10(14)11(7-9)18-3/h5-7,17H,4,8H2,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide?
4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide has a molecular weight of 255.29 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-2-methylbutyl)-3-methoxybenzamide is sourced from PubChem (CID 81003078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).