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

C15H15FN2O — CID 107999853

IUPACN-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H15FN2O/c1-9-4-3-5-10(2)14(9)15(19)18-13-7-6-11(16)8-12(13)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyIAKWYNKHXULXGC-UHFFFAOYSA-N
MW258.30 g/mol
LogP3.28
Rot. Bonds2

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

N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide (PubChem CID 107999853) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide.

Molecular Properties

Compound NameN-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
PubChem CID107999853
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC NameN-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide
SMILESCc1cccc(C)c1C(=O)Nc1ccc(F)cc1N
InChIInChI=1S/C15H15FN2O/c1-9-4-3-5-10(2)14(9)15(19)18-13-7-6-11(16)8-12(13)17/h3-8H,17H2,1-2H3,(H,18,19)
InChIKeyIAKWYNKHXULXGC-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-4-fluorophenyl)-2-bromo-6-fluorobenzamide
CID 114558352
2-amino-N-(2-chloro-5-fluorophenyl)-6-methylbenzamide
CID 107526569
(2-amino-4-fluorophenyl)carbamic acid
CID 22318019
N-(2-amino-5-fluorophenyl)-2,4,6-trimethylbenzamide
CID 63257510
N-(2-amino-4-fluorophenyl)-1,3,5-trimethylpyrazole-4-carboxamide
CID 28742326
N-(2-amino-4-fluorophenyl)-3-methylbenzamide;formic acid
CID 178102332
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
2-amino-4-fluoro-N-(2-methylphenyl)benzamide
CID 62060652
2-amino-N-(2,4-difluorophenyl)-6-methoxybenzamide
CID 81410622
2-amino-N-(4-bromo-2,5-difluorophenyl)-6-methylbenzamide
CID 107608664
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
3-amino-N-(2,4-difluorophenyl)-2-methylbenzamide
CID 16791308

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide?
The IUPAC name of N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide (CID 107999853) is N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide.
What is the SMILES notation for N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide?
The canonical SMILES for N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide is Cc1cccc(C)c1C(=O)Nc1ccc(F)cc1N.
What is the InChIKey of N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide?
The InChIKey is IAKWYNKHXULXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-9-4-3-5-10(2)14(9)15(19)18-13-7-6-11(16)8-12(13)17/h3-8H,17H2,1-2H3,(H,18,19).
What are the key properties of N-(2-amino-4-fluorophenyl)-2,6-dimethylbenzamide?
N-(2-amino-4-fluorophenyl)-2,6-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-4-fluorophenyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 107999853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).