5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide

C15H14F2N2O — CID 61092080

IUPAC5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(N)c(F)cc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-9(2)5-10(4-8)19-15(20)11-6-14(18)13(17)7-12(11)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyAWBIAJUEIVTWHG-UHFFFAOYSA-N
MW276.29 g/mol
LogP3.42
Rot. Bonds2

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

5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide (PubChem CID 61092080) has the molecular formula C15H14F2N2O and a molecular weight of 276.29 g/mol. Its IUPAC name is 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
PubChem CID61092080
Molecular FormulaC15H14F2N2O
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide
SMILESCc1cc(C)cc(NC(=O)c2cc(N)c(F)cc2F)c1
InChIInChI=1S/C15H14F2N2O/c1-8-3-9(2)5-10(4-8)19-15(20)11-6-14(18)13(17)7-12(11)16/h3-7H,18H2,1-2H3,(H,19,20)
InChIKeyAWBIAJUEIVTWHG-UHFFFAOYSA-N
XLogP3.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 53.42
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

5-amino-2,4-difluoro-N-(3-fluoro-4-methylphenyl)benzamide
CID 61090590
5-amino-2,4-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699288
5-amino-2,4-difluoro-N-(4-methoxyphenyl)benzamide
CID 61092438
4-amino-N-(3-bromo-5-methylphenyl)-2-fluorobenzamide
CID 107581615
2-amino-N-(3,5-dimethylphenyl)-3-fluorobenzamide
CID 62649761
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
5-amino-2,4-difluoro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 61090250
5-amino-N-(3-bromo-5-methylphenyl)-2,4-dimethylbenzamide
CID 107581692
4-amino-2-chloro-N-(3-fluoro-5-methylphenyl)benzamide
CID 79048624
2-amino-N-(3,5-dimethylphenyl)-4,5-dimethoxybenzamide
CID 43825333
N-(5-amino-2,4-difluorophenyl)-3,5-dimethylbenzamide
CID 43549901
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide (CID 61092080) is 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide is Cc1cc(C)cc(NC(=O)c2cc(N)c(F)cc2F)c1.
What is the InChIKey of 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide?
The InChIKey is AWBIAJUEIVTWHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O/c1-8-3-9(2)5-10(4-8)19-15(20)11-6-14(18)13(17)7-12(11)16/h3-7H,18H2,1-2H3,(H,19,20).
What are the key properties of 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide?
5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide has a molecular weight of 276.29 g/mol, XLogP of 3.42, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3,5-dimethylphenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 61092080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).