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

C13H8BrF3N2O — CID 43549821

IUPACN-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
SMILESNc1cc(NC(=O)c2ccc(Br)cc2F)c(F)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-6-1-2-7(8(15)3-6)13(20)19-12-5-11(18)9(16)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeyPXNQUHHFGVAIAN-UHFFFAOYSA-N
MW345.12 g/mol
LogP3.70
Rot. Bonds2

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

N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide (PubChem CID 43549821) has the molecular formula C13H8BrF3N2O and a molecular weight of 345.12 g/mol. Its IUPAC name is N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide.

Molecular Properties

Compound NameN-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
PubChem CID43549821
Molecular FormulaC13H8BrF3N2O
Molecular Weight345.12 g/mol
Exact Mass343.98
IUPAC NameN-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide
SMILESNc1cc(NC(=O)c2ccc(Br)cc2F)c(F)cc1F
InChIInChI=1S/C13H8BrF3N2O/c14-6-1-2-7(8(15)3-6)13(20)19-12-5-11(18)9(16)4-10(12)17/h1-5H,18H2,(H,19,20)
InChIKeyPXNQUHHFGVAIAN-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

5-amino-N-(4-bromo-2-fluorophenyl)-2,4-difluorobenzamide
CID 61090845
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-chlorobenzamide
CID 43549777
N-(5-amino-2,4-difluorophenyl)-5-bromo-2-hydroxybenzamide
CID 107729211
4-bromo-N-(2,4-dibromophenyl)-2-fluorobenzamide
CID 26691585
5-amino-2-bromo-N-(5-bromo-2-fluorophenyl)-4-fluorobenzamide
CID 62814551
5-amino-N-(4-bromo-2-fluorophenyl)-2,4-dimethylbenzamide
CID 102704921
N-(4-amino-3-chlorophenyl)-4-bromo-2-fluorobenzamide
CID 82861279
4-bromo-N-[4-(carbamoylamino)phenyl]-2-fluorobenzamide
CID 33154064
4-bromo-N-(2-bromo-5-methylphenyl)-2-fluorobenzamide
CID 82707497
N-(4-bromo-2-fluorophenyl)-2-fluoro-4-methylsulfonylbenzamide
CID 71257495
4-bromo-2-fluoro-N-(2,4,6-tribromophenyl)benzamide
CID 43126410
5-amino-N-(4-chloro-2-fluorophenyl)-2,4-difluorobenzamide
CID 61112671

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide?
The IUPAC name of N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide (CID 43549821) is N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide.
What is the SMILES notation for N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide?
The canonical SMILES for N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide is Nc1cc(NC(=O)c2ccc(Br)cc2F)c(F)cc1F.
What is the InChIKey of N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide?
The InChIKey is PXNQUHHFGVAIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF3N2O/c14-6-1-2-7(8(15)3-6)13(20)19-12-5-11(18)9(16)4-10(12)17/h1-5H,18H2,(H,19,20).
What are the key properties of N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide?
N-(5-amino-2,4-difluorophenyl)-4-bromo-2-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 N-(5-amino-2,4-difluorophenyl)-4-bromo-2-fluorobenzamide is sourced from PubChem (CID 43549821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).