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

C15H13BrF2N2O — CID 107571068

IUPAC3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)cc(N)c2F)cc(C)c1Br
InChIInChI=1S/C15H13BrF2N2O/c1-7-3-10(4-8(2)13(7)16)20-15(21)11-5-9(17)6-12(19)14(11)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyZJMDBDQKPACFAY-UHFFFAOYSA-N
MW355.18 g/mol
LogP4.18
Rot. Bonds2

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

3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide (PubChem CID 107571068) has the molecular formula C15H13BrF2N2O and a molecular weight of 355.18 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
PubChem CID107571068
Molecular FormulaC15H13BrF2N2O
Molecular Weight355.18 g/mol
Exact Mass354.02
IUPAC Name3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
SMILESCc1cc(NC(=O)c2cc(F)cc(N)c2F)cc(C)c1Br
InChIInChI=1S/C15H13BrF2N2O/c1-7-3-10(4-8(2)13(7)16)20-15(21)11-5-9(17)6-12(19)14(11)18/h3-6H,19H2,1-2H3,(H,20,21)
InChIKeyZJMDBDQKPACFAY-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-(3-bromo-4-methylphenyl)-2,5-difluorobenzamide
CID 107121059
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
CID 107121167
3-amino-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
CID 107121176
5-amino-N-(4-bromo-3,5-dimethylphenyl)-2-fluorobenzamide
CID 107571074
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
CID 107120471
N-(4-bromo-3,5-dimethylphenyl)-4-fluorobenzamide
CID 107573361
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide (CID 107571068) is 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide is Cc1cc(NC(=O)c2cc(F)cc(N)c2F)cc(C)c1Br.
What is the InChIKey of 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide?
The InChIKey is ZJMDBDQKPACFAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O/c1-7-3-10(4-8(2)13(7)16)20-15(21)11-5-9(17)6-12(19)14(11)18/h3-6H,19H2,1-2H3,(H,20,21).
What are the key properties of 3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide?
3-amino-N-(4-bromo-3,5-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-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107571068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).