2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide

C15H15FN2O — CID 62649761

IUPAC2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(F)c2N)c1
InChIInChI=1S/C15H15FN2O/c1-9-6-10(2)8-11(7-9)18-15(19)12-4-3-5-13(16)14(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyORENPDHCTKJWTO-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide

2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide (PubChem CID 62649761) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
PubChem CID62649761
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cccc(F)c2N)c1
InChIInChI=1S/C15H15FN2O/c1-9-6-10(2)8-11(7-9)18-15(19)12-4-3-5-13(16)14(12)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyORENPDHCTKJWTO-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

2,3-difluoro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79055067
2-amino-N-(2-bromo-4-methylphenyl)-3-fluorobenzamide
CID 62649187
2-amino-N-(3-chlorophenyl)-3-fluorobenzamide
CID 62650234
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzamide
CID 79048317
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511
2-amino-3-fluoro-N-(5-fluoro-3-pyridinyl)benzamide
CID 114253904
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
CID 61092080
2-amino-N-(2,6-difluoro-3-methylphenyl)-3-fluorobenzamide
CID 82818263
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
2-amino-3-fluoro-N-(3-nitrophenyl)benzamide
CID 62650434

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide (CID 62649761) is 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide is Cc1cc(C)cc(NC(=O)c2cccc(F)c2N)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide?
The InChIKey is ORENPDHCTKJWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-6-10(2)8-11(7-9)18-15(19)12-4-3-5-13(16)14(12)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide?
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide 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 2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 62649761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).