5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide

C11H12BrFN2O — CID 62814400

IUPAC5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C11H12BrFN2O/c1-5-2-10(5)15-11(16)6-3-9(14)8(13)4-7(6)12/h3-5,10H,2,14H2,1H3,(H,15,16)
InChIKeyQHDXBNZBUKWHKO-UHFFFAOYSA-N
MW287.13 g/mol
LogP2.31
Rot. Bonds2

About 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide

5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide (PubChem CID 62814400) has the molecular formula C11H12BrFN2O and a molecular weight of 287.13 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
PubChem CID62814400
Molecular FormulaC11H12BrFN2O
Molecular Weight287.13 g/mol
Exact Mass286.01
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide
SMILESCC1CC1NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C11H12BrFN2O/c1-5-2-10(5)15-11(16)6-3-9(14)8(13)4-7(6)12/h3-5,10H,2,14H2,1H3,(H,15,16)
InChIKeyQHDXBNZBUKWHKO-UHFFFAOYSA-N
XLogP2.31
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.13
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide (CID 62814400) is 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide is CC1CC1NC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide?
The InChIKey is QHDXBNZBUKWHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrFN2O/c1-5-2-10(5)15-11(16)6-3-9(14)8(13)4-7(6)12/h3-5,10H,2,14H2,1H3,(H,15,16).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide has a molecular weight of 287.13 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(2-methylcyclopropyl)benzamide is sourced from PubChem (CID 62814400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).