5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide

C10H11BrFN3O2 — CID 55118572

IUPAC5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1Br)C(N)=O
InChIInChI=1S/C10H11BrFN3O2/c1-4(9(14)16)15-10(17)5-2-8(13)7(12)3-6(5)11/h2-4H,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyISKIZEZGUYLZBO-UHFFFAOYSA-N
MW304.12 g/mol
LogP0.77
Rot. Bonds3

About 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide

5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide (PubChem CID 55118572) has the molecular formula C10H11BrFN3O2 and a molecular weight of 304.12 g/mol. Its IUPAC name is 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide.

Molecular Properties

Compound Name5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
PubChem CID55118572
Molecular FormulaC10H11BrFN3O2
Molecular Weight304.12 g/mol
Exact Mass303.00
IUPAC Name5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
SMILESCC(NC(=O)c1cc(N)c(F)cc1Br)C(N)=O
InChIInChI=1S/C10H11BrFN3O2/c1-4(9(14)16)15-10(17)5-2-8(13)7(12)3-6(5)11/h2-4H,13H2,1H3,(H2,14,16)(H,15,17)
InChIKeyISKIZEZGUYLZBO-UHFFFAOYSA-N
XLogP0.77
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.12
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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5-amino-2-bromo-N-ethyl-4-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide?
The IUPAC name of 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide (CID 55118572) is 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide.
What is the SMILES notation for 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide?
The canonical SMILES for 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide is CC(NC(=O)c1cc(N)c(F)cc1Br)C(N)=O.
What is the InChIKey of 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide?
The InChIKey is ISKIZEZGUYLZBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFN3O2/c1-4(9(14)16)15-10(17)5-2-8(13)7(12)3-6(5)11/h2-4H,13H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide?
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide has a molecular weight of 304.12 g/mol, XLogP of 0.77, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide is sourced from PubChem (CID 55118572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).