2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid

C14H11Br2F2N3O3 — CID 158167463

IUPAC2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
SMILESNC(=O)c1cc(Br)c(F)cc1N.Nc1cc(F)c(Br)cc1C(=O)O
InChIInChI=1S/C7H6BrFN2O.C7H5BrFNO2/c2*8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12);1-2H,10H2,(H,11,12)
InChIKeyFXAHKLVZDHDYGZ-UHFFFAOYSA-N
MW467.06 g/mol
LogP3.14
Rot. Bonds2

About 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid

2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid (PubChem CID 158167463) has the molecular formula C14H11Br2F2N3O3 and a molecular weight of 467.06 g/mol. Its IUPAC name is 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid.

Molecular Properties

Compound Name2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
PubChem CID158167463
Molecular FormulaC14H11Br2F2N3O3
Molecular Weight467.06 g/mol
Exact Mass464.91
IUPAC Name2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid
SMILESNC(=O)c1cc(Br)c(F)cc1N.Nc1cc(F)c(Br)cc1C(=O)O
InChIInChI=1S/C7H6BrFN2O.C7H5BrFNO2/c2*8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12);1-2H,10H2,(H,11,12)
InChIKeyFXAHKLVZDHDYGZ-UHFFFAOYSA-N
XLogP3.14
TPSA132.43 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.06
LogP ≤ 53.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-5-bromo-4-fluorobenzoic acid;hydrochloride
CID 146196960
2-amino-4,5-difluorobenzamide
CID 16640510
4-bromo-2,5-difluorobenzamide
CID 53418047
1-(2-amino-5-bromo-4-fluorophenyl)-2-chloroethanone
CID 167472486
4-bromo-5-fluoro-2-methylbenzamide
CID 121366312
2-amino-4-fluoro-5-sulfanylbenzoic acid
CID 70115569
5-amino-4-(5-bromo-4-fluoro-2-methylanilino)-2-fluorobenzoic acid
CID 107591034
4-bromo-2,5-difluoroaniline
CID 2773285
2-amino-5-bromo-4-(hydroxymethyl)benzoic acid
CID 142181531
2-(2-amino-4-bromo-5-fluorophenyl)acetic acid
CID 131517676
5-bromo-2-fluoro-4-iodobenzamide
CID 164523655
2-amino-5-(4-bromo-2,5-dichlorophenoxy)-4-fluorobenzoic acid
CID 107659952

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid?
The IUPAC name of 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid (CID 158167463) is 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid.
What is the SMILES notation for 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid?
The canonical SMILES for 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid is NC(=O)c1cc(Br)c(F)cc1N.Nc1cc(F)c(Br)cc1C(=O)O.
What is the InChIKey of 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid?
The InChIKey is FXAHKLVZDHDYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O.C7H5BrFNO2/c2*8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2H,10H2,(H2,11,12);1-2H,10H2,(H,11,12).
What are the key properties of 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid?
2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid has a molecular weight of 467.06 g/mol, XLogP of 3.14, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-fluorobenzamide;2-amino-5-bromo-4-fluorobenzoic acid is sourced from PubChem (CID 158167463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).