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

C16H17FN2O — CID 62002165

IUPAC2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C16H17FN2O/c1-10-6-11(2)8-13(7-10)19(3)16(20)14-9-12(17)4-5-15(14)18/h4-9H,18H2,1-3H3
InChIKeyQGCJLPCQYCCRFY-UHFFFAOYSA-N
MW272.32 g/mol
LogP3.30
Rot. Bonds2

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

2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide (PubChem CID 62002165) has the molecular formula C16H17FN2O and a molecular weight of 272.32 g/mol. Its IUPAC name is 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
PubChem CID62002165
Molecular FormulaC16H17FN2O
Molecular Weight272.32 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide
SMILESCc1cc(C)cc(N(C)C(=O)c2cc(F)ccc2N)c1
InChIInChI=1S/C16H17FN2O/c1-10-6-11(2)8-13(7-10)19(3)16(20)14-9-12(17)4-5-15(14)18/h4-9H,18H2,1-3H3
InChIKeyQGCJLPCQYCCRFY-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

2-amino-5-fluoro-N,N-dimethylbenzamide;hydrochloride
CID 75414598
N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
3-amino-N-(3,5-dimethylphenyl)-4-fluoro-N-methylbenzamide
CID 62001591
2-amino-N-(3,5-dimethylphenyl)-3-fluoro-N-methylpyridine-4-carboxamide
CID 105385601
2-amino-N-(3-fluorophenyl)-5-hydroxy-N-methylbenzamide
CID 107075081
5-fluoro-2-hydroxy-N-methyl-N-(4-methylphenyl)benzamide
CID 115299057
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
2-amino-N-(3,3-dimethylbutan-2-yl)-5-fluoro-N-methylbenzamide
CID 60939640
2-amino-N-(3,5-dimethylphenyl)-N-methylpyridine-3-carboxamide
CID 62161798
(2-amino-5-fluorophenyl)-(4-methylphenyl)methanone
CID 13408102
N-(3,5-dimethylphenyl)-2-hydrazinyl-N,5-dimethylbenzamide
CID 62512821

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide?
The IUPAC name of 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide (CID 62002165) is 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide.
What is the SMILES notation for 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide?
The canonical SMILES for 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide is Cc1cc(C)cc(N(C)C(=O)c2cc(F)ccc2N)c1.
What is the InChIKey of 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide?
The InChIKey is QGCJLPCQYCCRFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O/c1-10-6-11(2)8-13(7-10)19(3)16(20)14-9-12(17)4-5-15(14)18/h4-9H,18H2,1-3H3.
What are the key properties of 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide?
2-amino-N-(3,5-dimethylphenyl)-5-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 2-amino-N-(3,5-dimethylphenyl)-5-fluoro-N-methylbenzamide is sourced from PubChem (CID 62002165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).