N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide

C15H14BrFN2O2 — CID 43547891

IUPACN-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccccc1N(CCO)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c16-12-6-5-10(17)9-11(12)15(21)19(7-8-20)14-4-2-1-3-13(14)18/h1-6,9,20H,7-8,18H2
InChIKeyFJHIKTMDOYUZFR-UHFFFAOYSA-N
MW353.19 g/mol
LogP2.81
Rot. Bonds4

About N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide

N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide (PubChem CID 43547891) has the molecular formula C15H14BrFN2O2 and a molecular weight of 353.19 g/mol. Its IUPAC name is N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide.

Molecular Properties

Compound NameN-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide
PubChem CID43547891
Molecular FormulaC15H14BrFN2O2
Molecular Weight353.19 g/mol
Exact Mass352.02
IUPAC NameN-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide
SMILESNc1ccccc1N(CCO)C(=O)c1cc(F)ccc1Br
InChIInChI=1S/C15H14BrFN2O2/c16-12-6-5-10(17)9-11(12)15(21)19(7-8-20)14-4-2-1-3-13(14)18/h1-6,9,20H,7-8,18H2
InChIKeyFJHIKTMDOYUZFR-UHFFFAOYSA-N
XLogP2.81
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.19
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide?
The IUPAC name of N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide (CID 43547891) is N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide.
What is the SMILES notation for N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide?
The canonical SMILES for N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide is Nc1ccccc1N(CCO)C(=O)c1cc(F)ccc1Br.
What is the InChIKey of N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide?
The InChIKey is FJHIKTMDOYUZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O2/c16-12-6-5-10(17)9-11(12)15(21)19(7-8-20)14-4-2-1-3-13(14)18/h1-6,9,20H,7-8,18H2.
What are the key properties of N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide?
N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide has a molecular weight of 353.19 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminophenyl)-2-bromo-5-fluoro-N-(2-hydroxyethyl)benzamide is sourced from PubChem (CID 43547891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).