3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide

C15H15FN2O2 — CID 107699249

IUPAC3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N)c(C)c(F)c2)cc1O
InChIInChI=1S/C15H15FN2O2/c1-8-3-4-11(7-14(8)19)18-15(20)10-5-12(16)9(2)13(17)6-10/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyZOSVZLYNYYNUJH-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.98
Rot. Bonds2

About 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide

3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide (PubChem CID 107699249) has the molecular formula C15H15FN2O2 and a molecular weight of 274.30 g/mol. Its IUPAC name is 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide.

Molecular Properties

Compound Name3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
PubChem CID107699249
Molecular FormulaC15H15FN2O2
Molecular Weight274.30 g/mol
Exact Mass274.11
IUPAC Name3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
SMILESCc1ccc(NC(=O)c2cc(N)c(C)c(F)c2)cc1O
InChIInChI=1S/C15H15FN2O2/c1-8-3-4-11(7-14(8)19)18-15(20)10-5-12(16)9(2)13(17)6-10/h3-7,19H,17H2,1-2H3,(H,18,20)
InChIKeyZOSVZLYNYYNUJH-UHFFFAOYSA-N
XLogP2.98
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.98
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-(3-hydroxy-4-methylphenyl)-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

N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
3-amino-5-fluoro-N-(4-methoxyphenyl)-4-methylbenzamide
CID 60861516
3-amino-N-(3-chlorophenyl)-5-fluoro-4-methylbenzamide
CID 60861685
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
3-amino-5-fluoro-4-methyl-N-(2,4,6-trimethylphenyl)benzamide
CID 60862352
3-amino-5-bromo-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699369
1-N,3-N-bis(3-amino-4-methylphenyl)-5-hydroxybenzene-1,3-dicarboxamide
CID 139753115
N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide
CID 837218
3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 837703
3-amino-5-fluoro-N-(2-fluorophenyl)-4-methylbenzamide
CID 60862351
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
2,6-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 64794940

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide?
The IUPAC name of 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide (CID 107699249) is 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide.
What is the SMILES notation for 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide?
The canonical SMILES for 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide is Cc1ccc(NC(=O)c2cc(N)c(C)c(F)c2)cc1O.
What is the InChIKey of 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide?
The InChIKey is ZOSVZLYNYYNUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c1-8-3-4-11(7-14(8)19)18-15(20)10-5-12(16)9(2)13(17)6-10/h3-7,19H,17H2,1-2H3,(H,18,20).
What are the key properties of 3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide?
3-amino-5-fluoro-N-(3-hydroxy-4-methylphenyl)-4-methylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.98, 2 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-(3-hydroxy-4-methylphenyl)-4-methylbenzamide is sourced from PubChem (CID 107699249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).