N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide

C15H11BrFN3O2 — CID 2553894

IUPACN-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H11BrFN3O2/c16-9-5-6-13(10(17)7-9)22-8-14(21)20-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H2,18,19,20,21)
InChIKeyAYAZUQAFOLGZTE-UHFFFAOYSA-N
MW364.17 g/mol
LogP3.48
Rot. Bonds4

About N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide

N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide (PubChem CID 2553894) has the molecular formula C15H11BrFN3O2 and a molecular weight of 364.17 g/mol. Its IUPAC name is N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
PubChem CID2553894
Molecular FormulaC15H11BrFN3O2
Molecular Weight364.17 g/mol
Exact Mass363.00
IUPAC NameN-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide
SMILESO=C(COc1ccc(Br)cc1F)Nc1nc2ccccc2[nH]1
InChIInChI=1S/C15H11BrFN3O2/c16-9-5-6-13(10(17)7-9)22-8-14(21)20-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H2,18,19,20,21)
InChIKeyAYAZUQAFOLGZTE-UHFFFAOYSA-N
XLogP3.48
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.17
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1H-benzimidazol-2-yl)-2-(2-hydroxyphenoxy)acetamide
CID 60629393
2-(4-bromo-2-fluorophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
CID 30866723
N-(1H-benzimidazol-2-yl)-4-bromo-2-fluorobenzamide
CID 51229009
2-(3-aminophenoxy)-N-(1H-benzimidazol-2-yl)acetamide
CID 63565380
2-(4-bromo-2-fluorophenoxy)-N-(2-ethylphenyl)acetamide
CID 26036611
2-[[2-(4-bromo-2-fluorophenoxy)acetyl]amino]benzamide
CID 7500273
methyl 2-[2-(1H-benzimidazol-2-yl)-4-bromophenoxy]acetate
CID 168554534
N-(1H-benzimidazol-2-yl)-2-(4-bromophenyl)sulfanylacetamide
CID 2644334
2-(4-bromo-2-fluorophenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594885
2-(4-bromo-2-fluorophenoxy)-N-(2-chloro-3-pyridinyl)acetamide
CID 2522815
N-(1H-benzimidazol-2-yl)-4-bromo-2-methoxybenzamide
CID 78987804
2-(4-bromo-2-fluorophenoxy)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 26894979

Frequently Asked Questions

What is the IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The IUPAC name of N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide (CID 2553894) is N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide.
What is the SMILES notation for N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The canonical SMILES for N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide is O=C(COc1ccc(Br)cc1F)Nc1nc2ccccc2[nH]1.
What is the InChIKey of N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
The InChIKey is AYAZUQAFOLGZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrFN3O2/c16-9-5-6-13(10(17)7-9)22-8-14(21)20-15-18-11-3-1-2-4-12(11)19-15/h1-7H,8H2,(H2,18,19,20,21).
What are the key properties of N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide?
N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide has a molecular weight of 364.17 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-benzimidazol-2-yl)-2-(4-bromo-2-fluorophenoxy)acetamide is sourced from PubChem (CID 2553894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).