4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide

C13H8BrF3N2O — CID 107608717

IUPAC4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-7-4-10(17)12(5-8(7)15)19-13(20)6-1-2-11(18)9(16)3-6/h1-5H,18H2,(H,19,20)
InChIKeyHCDMUTCDQSDDJN-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.70
Rot. Bonds2

About 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide

4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide (PubChem CID 107608717) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide.

Molecular Properties

Compound Name4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
PubChem CID107608717
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide
SMILESNc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-7-4-10(17)12(5-8(7)15)19-13(20)6-1-2-11(18)9(16)3-6/h1-5H,18H2,(H,19,20)
InChIKeyHCDMUTCDQSDDJN-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'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

N-(4-bromo-2,5-difluorophenyl)-4-fluorobenzamide
CID 103842544
4-[(4-bromo-2,5-difluorophenyl)carbamoyl]benzoic acid
CID 107615306
4-amino-N-(2-bromo-5-methylphenyl)-3-fluorobenzamide
CID 82761895
4-[(4-amino-3-fluorobenzoyl)amino]-3-fluorobenzoic acid
CID 63189025
3-bromo-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 103707329
N-(4-bromo-2,5-difluorophenyl)-4-hydroxy-3-methylbenzamide
CID 107676398
4-amino-N-(4-bromo-5-fluoro-2-methylphenyl)-3-hydroxybenzamide
CID 102739332
5-amino-N-(4-bromo-2,5-difluorophenyl)-2,4-dimethylbenzamide
CID 107608755
3-amino-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102852339
3-amino-4-fluoro-N-(2,4,5-trifluorophenyl)benzamide
CID 62814302
4-bromo-N-(5-bromo-2,4-difluorophenyl)benzamide
CID 102848004
N-(4-bromo-2,5-difluorophenyl)-6-oxo-1H-pyridine-3-carboxamide
CID 103842478

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
The IUPAC name of 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide (CID 107608717) is 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide.
What is the SMILES notation for 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
The canonical SMILES for 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide is Nc1ccc(C(=O)Nc2cc(F)c(Br)cc2F)cc1F.
What is the InChIKey of 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
The InChIKey is HCDMUTCDQSDDJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-7-4-10(17)12(5-8(7)15)19-13(20)6-1-2-11(18)9(16)3-6/h1-5H,18H2,(H,19,20).
What are the key properties of 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide?
4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide 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 4-amino-N-(4-bromo-2,5-difluorophenyl)-3-fluorobenzamide is sourced from PubChem (CID 107608717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).