2-amino-3-bromo-4-fluorobenzamide

C7H6BrFN2O — CID 139748040

IUPAC2-amino-3-bromo-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Br)c1N
InChIInChI=1S/C7H6BrFN2O/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeyCNJUCSNQJSJLMW-UHFFFAOYSA-N
MW233.04 g/mol
LogP1.27
Rot. Bonds1

About 2-amino-3-bromo-4-fluorobenzamide

2-amino-3-bromo-4-fluorobenzamide (PubChem CID 139748040) has the molecular formula C7H6BrFN2O and a molecular weight of 233.04 g/mol. Its IUPAC name is 2-amino-3-bromo-4-fluorobenzamide.

Molecular Properties

Compound Name2-amino-3-bromo-4-fluorobenzamide
PubChem CID139748040
Molecular FormulaC7H6BrFN2O
Molecular Weight233.04 g/mol
Exact Mass231.96
IUPAC Name2-amino-3-bromo-4-fluorobenzamide
SMILESNC(=O)c1ccc(F)c(Br)c1N
InChIInChI=1S/C7H6BrFN2O/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,10H2,(H2,11,12)
InChIKeyCNJUCSNQJSJLMW-UHFFFAOYSA-N
XLogP1.27
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.04
LogP ≤ 51.27
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

1-(2-amino-3-bromo-4-fluorophenyl)-2-bromoethanone
CID 171016538
2,3-diaminobenzene-1,4-dicarboxamide
CID 142757766
2-amino-4-fluoro-3-(trifluoromethyl)benzamide
CID 118998970
2,4-dibromo-3,5-difluorobenzamide
CID 119007128
2-bromo-6-chloro-3-fluorobenzamide
CID 131617846
2-bromo-4-chloro-3-fluorobenzamide
CID 89499969
3-amino-4-fluoro-2-(trifluoromethoxy)benzamide
CID 131344959
2,3-diamino-4-hydroxybenzamide
CID 70024037
3-amino-2-bromopyridine-4-carboxamide
CID 112757948
2-carbamothioyl-3,4-difluorobenzamide
CID 174710522
2-bromo-1-(3-bromo-2,4-difluorophenyl)ethanone
CID 122237020
4-bromo-2,5-difluorobenzamide
CID 53418047

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-bromo-4-fluorobenzamide?
The IUPAC name of 2-amino-3-bromo-4-fluorobenzamide (CID 139748040) is 2-amino-3-bromo-4-fluorobenzamide.
What is the SMILES notation for 2-amino-3-bromo-4-fluorobenzamide?
The canonical SMILES for 2-amino-3-bromo-4-fluorobenzamide is NC(=O)c1ccc(F)c(Br)c1N.
What is the InChIKey of 2-amino-3-bromo-4-fluorobenzamide?
The InChIKey is CNJUCSNQJSJLMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFN2O/c8-5-4(9)2-1-3(6(5)10)7(11)12/h1-2H,10H2,(H2,11,12).
What are the key properties of 2-amino-3-bromo-4-fluorobenzamide?
2-amino-3-bromo-4-fluorobenzamide has a molecular weight of 233.04 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-bromo-4-fluorobenzamide is sourced from PubChem (CID 139748040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).