3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide

C15H13BrF2N2O — CID 107121286

IUPAC3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(F)cc(N)c2F)c(Br)c1
InChIInChI=1S/C15H13BrF2N2O/c1-7-3-8(2)14(11(16)4-7)20-15(21)10-5-9(17)6-12(19)13(10)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyZIKXRBQZLGWAJL-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.18
Rot. Bonds2

About 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide

3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide (PubChem CID 107121286) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
PubChem CID107121286
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
SMILESCc1cc(C)c(NC(=O)c2cc(F)cc(N)c2F)c(Br)c1
InChIInChI=1S/C15H13BrF2N2O/c1-7-3-8(2)14(11(16)4-7)20-15(21)10-5-9(17)6-12(19)13(10)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyZIKXRBQZLGWAJL-UHFFFAOYSA-N
XLogP4.18
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 54.18
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

3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
3-amino-N-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059
N-(2-bromo-4,6-dimethylphenyl)-4-fluoro-2-methylbenzamide
CID 115745964
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
5-amino-2-bromo-N-(2,6-dibromo-4-methylphenyl)-4-fluorobenzamide
CID 62815412
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
5-amino-N-(2-bromo-4,6-dimethylphenyl)-2,3-dichlorobenzamide
CID 107185608
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
2-amino-N-(4-bromo-2,6-dimethylphenyl)-5-fluorobenzamide
CID 43132657

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide (CID 107121286) is 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide is Cc1cc(C)c(NC(=O)c2cc(F)cc(N)c2F)c(Br)c1.
What is the InChIKey of 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide?
The InChIKey is ZIKXRBQZLGWAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-7-3-8(2)14(11(16)4-7)20-15(21)10-5-9(17)6-12(19)13(10)18/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide?
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide has a molecular weight of 355.18 g/mol, XLogP of 4.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107121286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).