N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide

C15H15FN2O — CID 104757128

IUPACN-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(F)c2)cc1N
InChIInChI=1S/C15H15FN2O/c1-9-6-10(2)14(8-13(9)17)18-15(19)11-4-3-5-12(16)7-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOKIMNNBWQGNNLG-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

About N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide

N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide (PubChem CID 104757128) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
PubChem CID104757128
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(F)c2)cc1N
InChIInChI=1S/C15H15FN2O/c1-9-6-10(2)14(8-13(9)17)18-15(19)11-4-3-5-12(16)7-11/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyOKIMNNBWQGNNLG-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

1-(5-amino-2,4-dimethylphenyl)-3-(3-fluorophenyl)urea
CID 104757285
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
CID 104756953
N-(5-amino-2,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 104757005
N-(4-chloro-2-methylphenyl)-3-fluorobenzamide
CID 2671206
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
N-[5-(aminomethyl)-2-methylphenyl]-3-fluorobenzamide
CID 62104316
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(5-amino-2,4-dimethylphenyl)-4-hydroxybenzamide
CID 104757000
3-fluoro-N-(2-methyl-5-sulfamoylphenyl)benzamide
CID 4155198
N-(5-amino-2,4-dimethylphenyl)-3-chloro-4-methylbenzamide
CID 104756900
N-(5-amino-2-bromo-4-methylphenyl)-3-bromobenzamide
CID 104814581
N-(2-acetamidophenyl)-3-fluorobenzamide
CID 877390

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide (CID 104757128) is N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide is Cc1cc(C)c(NC(=O)c2cccc(F)c2)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide?
The InChIKey is OKIMNNBWQGNNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-6-10(2)14(8-13(9)17)18-15(19)11-4-3-5-12(16)7-11/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide?
N-(5-amino-2,4-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 N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide is sourced from PubChem (CID 104757128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).