3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide

C15H15FN2O — CID 16784018

IUPAC3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H15FN2O/c1-9-6-7-11(16)8-14(9)18-15(19)12-4-3-5-13(17)10(12)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyZNHULWIEJCORGE-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide

3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide (PubChem CID 16784018) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
PubChem CID16784018
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide
SMILESCc1ccc(F)cc1NC(=O)c1cccc(N)c1C
InChIInChI=1S/C15H15FN2O/c1-9-6-7-11(16)8-14(9)18-15(19)12-4-3-5-13(17)10(12)2/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyZNHULWIEJCORGE-UHFFFAOYSA-N
XLogP3.28
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(5-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7777709
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308
3-amino-N-(5-fluoro-2-methylphenyl)-2-nitrobenzamide
CID 115548339
2-amino-N-(5-fluoro-2-methylphenyl)-3-nitrobenzamide
CID 115678487
N-(2-amino-5-fluorophenyl)-3-chloro-2-methylbenzamide
CID 110484078
2-bromo-N-(5-fluoro-2-methylphenyl)benzamide
CID 2683675
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
3-amino-N-(4-iodo-2-methylphenyl)-2-methylbenzamide
CID 78984651
N-(5-fluoro-2-methylphenyl)-2,3-dimethoxybenzamide
CID 2443471
N-(4-fluoro-2-methylphenyl)-2,3-dimethylbenzamide
CID 7751902
3-amino-N-(4-fluoro-3-methylphenyl)-2-methylbenzamide
CID 62811033
3-amino-2-methyl-N-(2,4,5-trichlorophenyl)benzamide
CID 23464406

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
The IUPAC name of 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide (CID 16784018) is 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide.
What is the SMILES notation for 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
The canonical SMILES for 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide is Cc1ccc(F)cc1NC(=O)c1cccc(N)c1C.
What is the InChIKey of 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
The InChIKey is ZNHULWIEJCORGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-6-7-11(16)8-14(9)18-15(19)12-4-3-5-13(17)10(12)2/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide?
3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide has a molecular weight of 258.30 g/mol, XLogP of 3.28, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(5-fluoro-2-methylphenyl)-2-methylbenzamide is sourced from PubChem (CID 16784018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).