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

C16H17FN2O — CID 62001591

IUPAC3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C16H17FN2O/c1-10-6-11(2)8-13(7-10)19(3)16(20)12-4-5-14(17)15(18)9-12/h4-9H,18H2,1-3H3
InChIKeyLBOPIFARCDKALG-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.30
Rot. Bonds2

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

3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide (PubChem CID 62001591) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
PubChem CID62001591
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2ccc(F)c(N)c2)c1
InChIInChI=1S/C16H17FN2O/c1-10-6-11(2)8-13(7-10)19(3)16(20)12-4-5-14(17)15(18)9-12/h4-9H,18H2,1-3H3
InChIKeyLBOPIFARCDKALG-UHFFFAOYSA-N
XLogP3.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.32
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-amino-N-(2,4-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001405
N-(4-aminophenyl)-3,4-difluoro-N-methylbenzamide
CID 28894090
N-(3,5-dimethylphenyl)-4-hydrazinyl-N-methylbenzamide
CID 62247328
N-(3,5-dimethylphenyl)-6-fluoro-N-methylpyridine-3-carboxamide
CID 63979948
2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
CID 62002165
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
3-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 52851115
3-amino-N-cyclobutyl-4-fluoro-N-methylbenzamide
CID 115739588
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
3-bromo-N-(3,5-dimethylphenyl)-N-methylbenzamide
CID 47314027
3-amino-N,4-dimethyl-N-phenylbenzamide
CID 16771335
3-amino-N-(3,3-dimethylbutan-2-yl)-4-fluoro-N-methylbenzamide
CID 61107619

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide?
The IUPAC name of 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide (CID 62001591) is 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide?
The canonical SMILES for 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2ccc(F)c(N)c2)c1.
What is the InChIKey of 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide?
The InChIKey is LBOPIFARCDKALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-6-11(2)8-13(7-10)19(3)16(20)12-4-5-14(17)15(18)9-12/h4-9H,18H2,1-3H3.
What are the key properties of 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide?
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide has a molecular weight of 272.32 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide is sourced from PubChem (CID 62001591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).