N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide

C11H14BrFN2O2 — CID 64540601

IUPACN-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
SMILESCC(O)C(N)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrFN2O2/c1-6(16)10(14)5-15-11(17)7-2-3-8(12)9(13)4-7/h2-4,6,10,16H,5,14H2,1H3,(H,15,17)
InChIKeyAHQIZIZNGHJSFQ-UHFFFAOYSA-N
MW305.15 g/mol
LogP1.03
Rot. Bonds4

About N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide

N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide (PubChem CID 64540601) has the molecular formula C11H14BrFN2O2 and a molecular weight of 305.15 g/mol. Its IUPAC name is N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide.

Molecular Properties

Compound NameN-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
PubChem CID64540601
Molecular FormulaC11H14BrFN2O2
Molecular Weight305.15 g/mol
Exact Mass304.02
IUPAC NameN-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide
SMILESCC(O)C(N)CNC(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C11H14BrFN2O2/c1-6(16)10(14)5-15-11(17)7-2-3-8(12)9(13)4-7/h2-4,6,10,16H,5,14H2,1H3,(H,15,17)
InChIKeyAHQIZIZNGHJSFQ-UHFFFAOYSA-N
XLogP1.03
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.15
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-3-fluoro-N-[(2S)-2-hydroxypropyl]benzamide
CID 83030765
4-bromo-3-fluoro-N-(2-methylsulfanylpropyl)benzamide
CID 115759502
4-bromo-3-fluoro-N-[2-(2-hydroxypropylamino)ethyl]benzamide
CID 113430397
4-bromo-3-fluoro-N-[2-hydroxy-3-(2-methylpropoxy)propyl]benzamide
CID 111697663
N-(2-aminopropyl)-3-bromo-4-fluorobenzamide
CID 107956111
4-bromo-N-(2,2-diethoxyethyl)-3-fluorobenzamide
CID 79547974
4-bromo-3-fluoro-N-(2-oxopropyl)benzamide
CID 64996616
N-(2-amino-3-hydroxybutyl)-2,4-difluorobenzamide
CID 64540190
N-(2-aminopropyl)-3,4-difluorobenzamide
CID 63732931
4-bromo-N-(2-bromo-2-cyclopropylethyl)-3-fluorobenzamide
CID 114315887
N-(2-amino-3-hydroxybutyl)quinoxaline-6-carboxamide
CID 64541023
N-(2-amino-3-hydroxybutyl)-3,4-diethoxybenzamide
CID 64541242

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide?
The IUPAC name of N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide (CID 64540601) is N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide.
What is the SMILES notation for N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide?
The canonical SMILES for N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide is CC(O)C(N)CNC(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide?
The InChIKey is AHQIZIZNGHJSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2/c1-6(16)10(14)5-15-11(17)7-2-3-8(12)9(13)4-7/h2-4,6,10,16H,5,14H2,1H3,(H,15,17).
What are the key properties of N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide?
N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide has a molecular weight of 305.15 g/mol, XLogP of 1.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-3-hydroxybutyl)-4-bromo-3-fluorobenzamide is sourced from PubChem (CID 64540601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).