N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide

C16H17FN2O — CID 104756953

IUPACN-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C)c2F)cc1N
InChIInChI=1S/C16H17FN2O/c1-9-5-4-6-12(15(9)17)16(20)19-14-8-13(18)10(2)7-11(14)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyMKANXXBVRAUABJ-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.59
Rot. Bonds2

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

N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide (PubChem CID 104756953) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
PubChem CID104756953
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC NameN-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide
SMILESCc1cc(C)c(NC(=O)c2cccc(C)c2F)cc1N
InChIInChI=1S/C16H17FN2O/c1-9-5-4-6-12(15(9)17)16(20)19-14-8-13(18)10(2)7-11(14)3/h4-8H,18H2,1-3H3,(H,19,20)
InChIKeyMKANXXBVRAUABJ-UHFFFAOYSA-N
XLogP3.59
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.59
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-(4-amino-5-chloro-2-methylphenyl)-2-fluoro-3-methylbenzamide
CID 104667416
N-(2-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81480740
N-(5-amino-2,4-dimethylphenyl)-3-fluorobenzamide
CID 104757128
N-(3-amino-4-bromophenyl)-2-fluoro-3-methylbenzamide
CID 81481979
N-(4-amino-2,5-dimethylphenyl)-3-hydroxy-2-methylbenzamide
CID 103144449
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
N-(5-bromo-2-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 80711881
N-(4-amino-3-chlorophenyl)-2-fluoro-3-methylbenzamide
CID 82861951
N-(5-amino-2,4-dimethylphenyl)-2-chloro-4-methylbenzamide
CID 106860442
N-(2,5-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 80717854
2-amino-N-(5-bromo-4-fluoro-2-methylphenyl)-3-fluorobenzamide
CID 107592257
N-(2,6-dibromophenyl)-2-fluoro-3-methylbenzamide
CID 107598701

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide?
The IUPAC name of N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide (CID 104756953) is N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide.
What is the SMILES notation for N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide?
The canonical SMILES for N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide is Cc1cc(C)c(NC(=O)c2cccc(C)c2F)cc1N.
What is the InChIKey of N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide?
The InChIKey is MKANXXBVRAUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-9-5-4-6-12(15(9)17)16(20)19-14-8-13(18)10(2)7-11(14)3/h4-8H,18H2,1-3H3,(H,19,20).
What are the key properties of N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide?
N-(5-amino-2,4-dimethylphenyl)-2-fluoro-3-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.59, 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)-2-fluoro-3-methylbenzamide is sourced from PubChem (CID 104756953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).