N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide

C15H15FN2O — CID 81314531

IUPACN-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cccc2F)cc1C
InChIInChI=1S/C15H15FN2O/c1-9-6-7-11(8-10(9)2)15(19)18-14-12(16)4-3-5-13(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXJRJXUMPTZWABX-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide

N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide (PubChem CID 81314531) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
PubChem CID81314531
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide
SMILESCc1ccc(C(=O)Nc2c(N)cccc2F)cc1C
InChIInChI=1S/C15H15FN2O/c1-9-6-7-11(8-10(9)2)15(19)18-14-12(16)4-3-5-13(14)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyXJRJXUMPTZWABX-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-(2-amino-6-fluorophenyl)-3-fluoro-4-methylbenzamide
CID 81315291
N-(2-amino-6-fluorophenyl)-4-fluoro-3-methylbenzamide
CID 81315195
N-(2-amino-6-chlorophenyl)-3,4-dimethylbenzamide
CID 62086045
N-(2,6-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 103956615
4-amino-N-(2,6-dimethylphenyl)-3-fluorobenzamide
CID 55103404
N-(2-amino-6-fluorophenyl)-2,3-dihydro-1H-indene-5-carboxamide
CID 81314550
N-(2-amino-6-fluorophenyl)-4-ethylbenzamide
CID 81313700
N-(2-amino-6-methylphenyl)-3,4-dimethoxybenzamide
CID 43330049
4-bromo-3-fluoro-N-(2-fluoro-6-methylphenyl)benzamide
CID 113352707
N-(2-amino-6-fluorophenyl)-3-bromo-5-fluorobenzamide
CID 81313883
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(2-amino-6-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283939

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide?
The IUPAC name of N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide (CID 81314531) is N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide?
The canonical SMILES for N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide is Cc1ccc(C(=O)Nc2c(N)cccc2F)cc1C.
What is the InChIKey of N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide?
The InChIKey is XJRJXUMPTZWABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-6-7-11(8-10(9)2)15(19)18-14-12(16)4-3-5-13(14)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide?
N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide 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 N-(2-amino-6-fluorophenyl)-3,4-dimethylbenzamide is sourced from PubChem (CID 81314531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).