4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide

C15H15FN2O — CID 62002180

IUPAC4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C15H15FN2O/c1-10-4-3-5-12(8-10)18(2)15(19)13-7-6-11(17)9-14(13)16/h3-9H,17H2,1-2H3
InChIKeyMLKOHQPLVBMUQA-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.99
Rot. Bonds2

About 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide

4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide (PubChem CID 62002180) has the molecular formula C15H15FN2O and a molecular weight of 258.30 g/mol. Its IUPAC name is 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide.

Molecular Properties

Compound Name4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
PubChem CID62002180
Molecular FormulaC15H15FN2O
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Name4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide
SMILESCc1cccc(N(C)C(=O)c2ccc(N)cc2F)c1
InChIInChI=1S/C15H15FN2O/c1-10-4-3-5-12(8-10)18(2)15(19)13-7-6-11(17)9-14(13)16/h3-9H,17H2,1-2H3
InChIKeyMLKOHQPLVBMUQA-UHFFFAOYSA-N
XLogP2.99
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.99
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

N-(3,5-dimethylphenyl)-2-fluoro-N,4-dimethylbenzamide
CID 79776952
N-(3-aminophenyl)-2-fluoro-4-methoxy-N-methylbenzamide
CID 102881879
2-amino-5-chloro-N-methyl-N-(3-methylphenyl)benzamide
CID 62003309
2-fluoro-N,4-dimethyl-N-(4-methylphenyl)benzamide
CID 79787103
2,4-dibromo-N-methyl-N-(3-methylphenyl)benzamide
CID 107952311
2-fluoro-4-hydroxy-N-(3-hydroxyphenyl)-N-methylbenzamide
CID 107735649
N-(3-aminophenyl)-2,4,5-trifluoro-3-hydroxy-N-methylbenzamide
CID 61297683
3-bromo-4-fluoro-N-methyl-N-(3-methylphenyl)benzamide
CID 113244776
N-(3-aminophenyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107013206
N,2-dimethyl-N-(3-methylphenyl)benzamide;ethane
CID 91376275
N-(3-aminophenyl)-2-chloro-4-fluoro-N-methylbenzamide
CID 61297313
2,5-dihydroxy-N-methyl-N-(3-methylphenyl)benzamide
CID 103892363

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
The IUPAC name of 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide (CID 62002180) is 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide.
What is the SMILES notation for 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
The canonical SMILES for 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide is Cc1cccc(N(C)C(=O)c2ccc(N)cc2F)c1.
What is the InChIKey of 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
The InChIKey is MLKOHQPLVBMUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O/c1-10-4-3-5-12(8-10)18(2)15(19)13-7-6-11(17)9-14(13)16/h3-9H,17H2,1-2H3.
What are the key properties of 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide?
4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide has a molecular weight of 258.30 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-fluoro-N-methyl-N-(3-methylphenyl)benzamide is sourced from PubChem (CID 62002180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).