N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide

C16H16F2N2O — CID 82797496

IUPACN-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(N)c(NC(=O)c2c(F)ccc(C)c2F)c1C
InChIInChI=1S/C16H16F2N2O/c1-8-5-7-12(19)15(10(8)3)20-16(21)13-11(17)6-4-9(2)14(13)18/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyOYOKFQNFGFGJDR-UHFFFAOYSA-N
MW290.31 g/mol
LogP3.72
Rot. Bonds2

About N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide

N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide (PubChem CID 82797496) has the molecular formula C16H16F2N2O and a molecular weight of 290.31 g/mol. Its IUPAC name is N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide.

Molecular Properties

Compound NameN-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
PubChem CID82797496
Molecular FormulaC16H16F2N2O
Molecular Weight290.31 g/mol
Exact Mass290.12
IUPAC NameN-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide
SMILESCc1ccc(N)c(NC(=O)c2c(F)ccc(C)c2F)c1C
InChIInChI=1S/C16H16F2N2O/c1-8-5-7-12(19)15(10(8)3)20-16(21)13-11(17)6-4-9(2)14(13)18/h4-7H,19H2,1-3H3,(H,20,21)
InChIKeyOYOKFQNFGFGJDR-UHFFFAOYSA-N
XLogP3.72
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.31
LogP ≤ 53.72
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-(6-amino-2,3-dimethylphenyl)-5-bromo-2-fluorobenzamide
CID 43548023
N-(6-amino-2,3-dimethylphenyl)-4-bromobenzamide
CID 43548126
N-(6-amino-2,3-dimethylphenyl)-2-chloro-4-fluorobenzamide
CID 43548096
N-(5-amino-3-methyl-2-pyridinyl)-2,6-difluoro-3-methylbenzamide
CID 115910717
N-[(2-aminophenyl)methyl]-2,6-difluoro-3-methylbenzamide
CID 82814854
2,6-difluoro-3-methyl-N-(5-methyl-1H-1,2,4-triazol-3-yl)benzamide
CID 82815861
2-amino-N-(2,6-difluoro-3-methylphenyl)-5-methylbenzamide
CID 82816475
N-(6-amino-2,3-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 43548085
N-(6-amino-2,3-dimethylphenyl)-5-bromothiophene-2-carboxamide
CID 43548068
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
N-(5-amino-2-methoxyphenyl)-2,6-difluoro-3-methylbenzamide
CID 82797723
3-amino-N-(4-chlorophenyl)-2,6-difluorobenzamide
CID 79772724

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide?
The IUPAC name of N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide (CID 82797496) is N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide.
What is the SMILES notation for N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide?
The canonical SMILES for N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide is Cc1ccc(N)c(NC(=O)c2c(F)ccc(C)c2F)c1C.
What is the InChIKey of N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide?
The InChIKey is OYOKFQNFGFGJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N2O/c1-8-5-7-12(19)15(10(8)3)20-16(21)13-11(17)6-4-9(2)14(13)18/h4-7H,19H2,1-3H3,(H,20,21).
What are the key properties of N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide?
N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide has a molecular weight of 290.31 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,3-dimethylphenyl)-2,6-difluoro-3-methylbenzamide is sourced from PubChem (CID 82797496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).