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

C13H8BrF3N2O — CID 61090845

IUPAC5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cc2F)c(F)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-6-1-2-12(10(17)3-6)19-13(20)7-4-11(18)9(16)5-8(7)15/h1-5H,18H2,(H,19,20)
InChIKeyOYLXVHSCBSUWFF-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.70
Rot. Bonds2

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

5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide (PubChem CID 61090845) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
PubChem CID61090845
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC Name5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
SMILESNc1cc(C(=O)Nc2ccc(Br)cc2F)c(F)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-6-1-2-12(10(17)3-6)19-13(20)7-4-11(18)9(16)5-8(7)15/h1-5H,18H2,(H,19,20)
InChIKeyOYLXVHSCBSUWFF-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

N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
CID 43549821
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729211
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
CID 43549777
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
5-amino-N-(5-bromo-2-pyridinyl)-2,4-difluorobenzamide
CID 61092770
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
5-bromo-2-fluoro-N-(2-fluoro-4-hydroxyphenyl)benzamide
CID 64793128
2-bromo-N-(4-bromo-2-fluorophenyl)-4-chlorobenzamide
CID 103763204
N-(4-bromo-2-fluorophenyl)-5-fluoro-2-hydroxybenzamide
CID 115298780
N-(2-amino-5-chlorophenyl)-5-bromo-2-fluorobenzamide
CID 24699699

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide?
The IUPAC name of 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide (CID 61090845) is 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide?
The canonical SMILES for 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide is Nc1cc(C(=O)Nc2ccc(Br)cc2F)c(F)cc1F.
What is the InChIKey of 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide?
The InChIKey is OYLXVHSCBSUWFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-6-1-2-12(10(17)3-6)19-13(20)7-4-11(18)9(16)5-8(7)15/h1-5H,18H2,(H,19,20).
What are the key properties of 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide?
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-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 5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide is sourced from PubChem (CID 61090845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).