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

C14H20BrFN2O2 — CID 66181038

IUPAC5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C14H20BrFN2O2/c1-8(2)6-14(3,20)7-18-13(19)9-4-12(17)11(16)5-10(9)15/h4-5,8,20H,6-7,17H2,1-3H3,(H,18,19)
InChIKeyLEGXILARQOQVBT-UHFFFAOYSA-N
MW347.23 g/mol
LogP2.70
Rot. Bonds5

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

5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (PubChem CID 66181038) has the molecular formula C14H20BrFN2O2 and a molecular weight of 347.23 g/mol. Its IUPAC name is 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.

Molecular Properties

Compound Name5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
PubChem CID66181038
Molecular FormulaC14H20BrFN2O2
Molecular Weight347.23 g/mol
Exact Mass346.07
IUPAC Name5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
SMILESCC(C)CC(C)(O)CNC(=O)c1cc(N)c(F)cc1Br
InChIInChI=1S/C14H20BrFN2O2/c1-8(2)6-14(3,20)7-18-13(19)9-4-12(17)11(16)5-10(9)15/h4-5,8,20H,6-7,17H2,1-3H3,(H,18,19)
InChIKeyLEGXILARQOQVBT-UHFFFAOYSA-N
XLogP2.70
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.23
LogP ≤ 52.70
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-2,4-difluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66180643
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2-methylbutyl)benzamide
CID 65103459
5-amino-2-bromo-4-fluoro-N-(2-hydroxypropyl)benzamide
CID 62815767
5-amino-2-bromo-N-ethyl-4-fluorobenzamide
CID 62831065
3-amino-4-bromo-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 66179269
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
N-(2-acetamidoethyl)-5-amino-2-bromo-4-fluorobenzamide
CID 55118573
5-amino-2-bromo-4-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]benzamide
CID 62815101
5-bromo-2-hydroxy-N-(2-hydroxy-2,4-dimethylpentyl)benzamide
CID 107729906
5-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)-2-methylbenzamide
CID 66179284
5-amino-N-(1-amino-1-oxopropan-2-yl)-2-bromo-4-fluorobenzamide
CID 55118572

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The IUPAC name of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide (CID 66181038) is 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide.
What is the SMILES notation for 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The canonical SMILES for 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide is CC(C)CC(C)(O)CNC(=O)c1cc(N)c(F)cc1Br.
What is the InChIKey of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
The InChIKey is LEGXILARQOQVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrFN2O2/c1-8(2)6-14(3,20)7-18-13(19)9-4-12(17)11(16)5-10(9)15/h4-5,8,20H,6-7,17H2,1-3H3,(H,18,19).
What are the key properties of 5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide?
5-amino-2-bromo-4-fluoro-N-(2-hydroxy-2,4-dimethylpentyl)benzamide has a molecular weight of 347.23 g/mol, XLogP of 2.70, 5 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-2,4-dimethylpentyl)benzamide is sourced from PubChem (CID 66181038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).