5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide

C12H16BrFN2O — CID 55118098

IUPAC5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2O/c1-3-7(4-2)16-12(17)8-5-11(15)10(14)6-9(8)13/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeySLSBBBQFZCERLK-UHFFFAOYSA-N
MW303.18 g/mol
LogP3.09
Rot. Bonds4

About 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide

5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide (PubChem CID 55118098) has the molecular formula C12H16BrFN2O and a molecular weight of 303.18 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
PubChem CID55118098
Molecular FormulaC12H16BrFN2O
Molecular Weight303.18 g/mol
Exact Mass302.04
IUPAC Name5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
SMILESCCC(CC)NC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2O/c1-3-7(4-2)16-12(17)8-5-11(15)10(14)6-9(8)13/h5-7H,3-4,15H2,1-2H3,(H,16,17)
InChIKeySLSBBBQFZCERLK-UHFFFAOYSA-N
XLogP3.09
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.18
LogP ≤ 53.09
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-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572
5-amino-2,4-difluoro-N-hexan-3-ylbenzamide
CID 62092925
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-(1-piperidin-1-ylpropan-2-yl)benzamide
CID 62815269
4-bromo-2-fluoro-N-pentan-3-ylbenzamide
CID 24698331
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459
5-amino-2-bromo-4-fluoro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62816463
5-amino-2,4-difluoro-N-heptan-2-ylbenzamide
CID 61094469
heptyl 5-amino-2-bromo-4-fluorobenzoate
CID 63447062

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide (CID 55118098) is 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide is CCC(CC)NC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide?
The InChIKey is SLSBBBQFZCERLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O/c1-3-7(4-2)16-12(17)8-5-11(15)10(14)6-9(8)13/h5-7H,3-4,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide?
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide has a molecular weight of 303.18 g/mol, XLogP of 3.09, 4 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-pentan-3-ylbenzamide is sourced from PubChem (CID 55118098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).