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

C13H7BrCl2F2N2O — CID 107120471

IUPAC3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1F
InChIInChI=1S/C13H7BrCl2F2N2O/c14-5-1-8(15)12(9(16)2-5)20-13(21)7-3-6(17)4-10(19)11(7)18/h1-4H,19H2,(H,20,21)
InChIKeyAIUNDTWZVZVBLU-UHFFFAOYSA-N
MW396.02 g/mol
LogP4.87
Rot. Bonds2

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

3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide (PubChem CID 107120471) has the molecular formula C13H7BrCl2F2N2O and a molecular weight of 396.02 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
PubChem CID107120471
Molecular FormulaC13H7BrCl2F2N2O
Molecular Weight396.02 g/mol
Exact Mass393.91
IUPAC Name3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1F
InChIInChI=1S/C13H7BrCl2F2N2O/c14-5-1-8(15)12(9(16)2-5)20-13(21)7-3-6(17)4-10(19)11(7)18/h1-4H,19H2,(H,20,21)
InChIKeyAIUNDTWZVZVBLU-UHFFFAOYSA-N
XLogP4.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.02
LogP ≤ 54.87
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-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
3-amino-N-(4-bromo-2-chlorophenyl)-2,5-difluorobenzamide
CID 107120481
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
5-amino-2-bromo-N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 62815588
3-amino-N-(2-bromo-3-chlorophenyl)-2,5-difluorobenzamide
CID 107121554
3-amino-N-(2-bromo-4,6-dimethylphenyl)-2,5-difluorobenzamide
CID 107121286
2-amino-N-(2,6-dichloro-4-fluorophenyl)-4,5-difluorobenzamide
CID 83077757
N-(4-bromo-2,6-dichlorophenyl)-2-fluorobenzamide
CID 60651805
N-(4-bromo-2,6-dichlorophenyl)-2-fluoro-3-methylbenzamide
CID 81481515
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
2-amino-N-(2,6-dichloro-4-fluorophenyl)-5-methylbenzamide
CID 83076619
N-(4-bromo-2,6-dichlorophenyl)-4-fluorobenzamide
CID 60651944

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide (CID 107120471) is 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide is Nc1cc(F)cc(C(=O)Nc2c(Cl)cc(Br)cc2Cl)c1F.
What is the InChIKey of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide?
The InChIKey is AIUNDTWZVZVBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrCl2F2N2O/c14-5-1-8(15)12(9(16)2-5)20-13(21)7-3-6(17)4-10(19)11(7)18/h1-4H,19H2,(H,20,21).
What are the key properties of 3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide?
3-amino-N-(4-bromo-2,6-dichlorophenyl)-2,5-difluorobenzamide has a molecular weight of 396.02 g/mol, XLogP of 4.87, 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-2,6-dichlorophenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107120471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).