5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide

C12H16BrFN2O2 — CID 65103459

IUPAC5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-3-12(2,18)6-16-11(17)7-4-10(15)9(14)5-8(7)13/h4-5,18H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyRJMNMFBOLSUNQY-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.06
Rot. Bonds4

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

5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide (PubChem CID 65103459) has the molecular formula C12H16BrFN2O2 and a molecular weight of 319.17 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
PubChem CID65103459
Molecular FormulaC12H16BrFN2O2
Molecular Weight319.17 g/mol
Exact Mass318.04
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
SMILESCCC(C)(O)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C12H16BrFN2O2/c1-3-12(2,18)6-16-11(17)7-4-10(15)9(14)5-8(7)13/h4-5,18H,3,6,15H2,1-2H3,(H,16,17)
InChIKeyRJMNMFBOLSUNQY-UHFFFAOYSA-N
XLogP2.06
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.06
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

5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66181038
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66180643
5-amino-2-bromo-4-fluoro-N-prop-2-enylbenzamide
CID 62815079
5-amino-2-bromo-4-fluoro-N-pentan-3-ylbenzamide
CID 55118098
5-amino-2-bromo-4-fluoro-N-(5,5,5-trifluoropentyl)benzamide
CID 115514877
5-amino-2-bromo-4-fluoro-N-(2-methyl-3-methylsulfanylpropyl)benzamide
CID 63981550
5-amino-2-bromo-4-fluoro-N-(2-methylsulfinylpropyl)benzamide
CID 113483959
3,5-dibromo-N-(2-hydroxy-2-methylbutyl)benzamide
CID 103908910
5-amino-2-bromo-4-fluoro-N-(3-methylpentan-2-yl)benzamide
CID 62816658

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide (CID 65103459) is 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide is CCC(C)(O)CNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
The InChIKey is RJMNMFBOLSUNQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O2/c1-3-12(2,18)6-16-11(17)7-4-10(15)9(14)5-8(7)13/h4-5,18H,3,6,15H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide has a molecular weight of 319.17 g/mol, XLogP of 2.06, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide is sourced from PubChem (CID 65103459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).