3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide

C13H19FN2O2 — CID 64550324

IUPAC3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-4-13(3,7-17)16-12(18)9-5-10(14)8(2)11(15)6-9/h5-6,17H,4,7,15H2,1-3H3,(H,16,18)
InChIKeyLUVIVNFMVTZOLR-UHFFFAOYSA-N
MW254.31 g/mol
LogP1.61
Rot. Bonds4

About 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide

3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide (PubChem CID 64550324) has the molecular formula C13H19FN2O2 and a molecular weight of 254.31 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide
PubChem CID64550324
Molecular FormulaC13H19FN2O2
Molecular Weight254.31 g/mol
Exact Mass254.14
IUPAC Name3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide
SMILESCCC(C)(CO)NC(=O)c1cc(N)c(C)c(F)c1
InChIInChI=1S/C13H19FN2O2/c1-4-13(3,7-17)16-12(18)9-5-10(14)8(2)11(15)6-9/h5-6,17H,4,7,15H2,1-3H3,(H,16,18)
InChIKeyLUVIVNFMVTZOLR-UHFFFAOYSA-N
XLogP1.61
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide 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-3,5-difluoro-N-(3-methylpentan-3-yl)benzamide
CID 106331348
N-(1-hydroxy-2-methylbutan-2-yl)-3,5-dimethylbenzamide
CID 64558339
3-amino-5-fluoro-4-methyl-N-propylbenzamide
CID 60861174
3-amino-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64549288
2-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-5-methylbenzamide
CID 64557392
N-[(2R)-1-hydroxy-2-methylbutan-2-yl]-4-methoxy-3,5-dimethylbenzamide
CID 99821344
methyl 2-[(3-amino-5-fluoro-4-methylbenzoyl)amino]acetate
CID 54927669
[2-(2-methylbutan-2-ylamino)-2-oxoethyl] 3-amino-5-fluoro-4-methylbenzoate
CID 61486257
3-amino-5-fluoro-4-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 60861030
3-amino-5-fluoro-N-hexyl-4-methylbenzamide
CID 61111175
3-amino-5-fluoro-4-methyl-N-octylbenzamide
CID 115565945
2-chloro-4,5-difluoro-N-(1-hydroxy-2-methylbutan-2-yl)benzamide
CID 64556023

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide (CID 64550324) is 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide is CCC(C)(CO)NC(=O)c1cc(N)c(C)c(F)c1.
What is the InChIKey of 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide?
The InChIKey is LUVIVNFMVTZOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN2O2/c1-4-13(3,7-17)16-12(18)9-5-10(14)8(2)11(15)6-9/h5-6,17H,4,7,15H2,1-3H3,(H,16,18).
What are the key properties of 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide?
3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide has a molecular weight of 254.31 g/mol, XLogP of 1.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-fluoro-N-(1-hydroxy-2-methylbutan-2-yl)-4-methylbenzamide is sourced from PubChem (CID 64550324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).