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

C13H8BrF3N2O — CID 107121167

IUPAC3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(Br)c(F)c2)c1F
InChIInChI=1S/C13H8BrF3N2O/c14-9-2-1-7(5-10(9)16)19-13(20)8-3-6(15)4-11(18)12(8)17/h1-5H,18H2,(H,19,20)
InChIKeyMRHWRYHFFMSOIR-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.70
Rot. Bonds2

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

3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide (PubChem CID 107121167) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide.

Molecular Properties

Compound Name3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
PubChem CID107121167
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide
SMILESNc1cc(F)cc(C(=O)Nc2ccc(Br)c(F)c2)c1F
InChIInChI=1S/C13H8BrF3N2O/c14-9-2-1-7(5-10(9)16)19-13(20)8-3-6(15)4-11(18)12(8)17/h1-5H,18H2,(H,19,20)
InChIKeyMRHWRYHFFMSOIR-UHFFFAOYSA-N
XLogP3.70
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.12
LogP ≤ 53.70
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-N-(3-bromo-4-methoxyphenyl)-2,5-difluorobenzamide
CID 107121176
3-amino-N-(2-bromo-4,6-difluorophenyl)-2,5-difluorobenzamide
CID 107120482
2-amino-N-(4-bromo-3-fluorophenyl)-5-hydroxybenzamide
CID 107075499
3-amino-2,5-difluoro-N-(3-hydroxy-4-methylphenyl)benzamide
CID 107699274
N-(3-amino-4-bromophenyl)-2,4,6-trifluorobenzamide
CID 79767572
3-amino-N-(4-bromo-3,5-dimethylphenyl)-2,5-difluorobenzamide
CID 107571068
N-(3-amino-4-fluorophenyl)-2-bromo-5-fluorobenzamide
CID 16777839
3-amino-N-(4-bromo-2,6-difluorophenyl)-2,5-difluorobenzamide
CID 107121169
N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65436517
5-bromo-N-(4-bromo-3-fluorophenyl)-2-fluorobenzamide
CID 65438137
3-amino-2,5-difluoro-N-(6-methyl-3-pyridinyl)benzamide
CID 107121288

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide?
The IUPAC name of 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide (CID 107121167) is 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide.
What is the SMILES notation for 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide?
The canonical SMILES for 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide is Nc1cc(F)cc(C(=O)Nc2ccc(Br)c(F)c2)c1F.
What is the InChIKey of 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide?
The InChIKey is MRHWRYHFFMSOIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-9-2-1-7(5-10(9)16)19-13(20)8-3-6(15)4-11(18)12(8)17/h1-5H,18H2,(H,19,20).
What are the key properties of 3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide?
3-amino-N-(4-bromo-3-fluorophenyl)-2,5-difluorobenzamide has a molecular weight of 345.12 g/mol, XLogP of 3.70, 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-fluorophenyl)-2,5-difluorobenzamide is sourced from PubChem (CID 107121167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).