N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide

C16H12BrFN4O2 — CID 9245931

IUPACN-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)Nc1n[nH]c(-c2ccccc2Br)n1
InChIInChI=1S/C16H12BrFN4O2/c17-13-7-2-1-6-12(13)15-20-16(22-21-15)19-14(23)9-24-11-5-3-4-10(18)8-11/h1-8H,9H2,(H2,19,20,21,22,23)
InChIKeyWVNPZURLKFGDCW-UHFFFAOYSA-N
MW391.20 g/mol
LogP3.39
Rot. Bonds5

About N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide

N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide (PubChem CID 9245931) has the molecular formula C16H12BrFN4O2 and a molecular weight of 391.20 g/mol. Its IUPAC name is N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide
PubChem CID9245931
Molecular FormulaC16H12BrFN4O2
Molecular Weight391.20 g/mol
Exact Mass390.01
IUPAC NameN-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide
SMILESO=C(COc1cccc(F)c1)Nc1n[nH]c(-c2ccccc2Br)n1
InChIInChI=1S/C16H12BrFN4O2/c17-13-7-2-1-6-12(13)15-20-16(22-21-15)19-14(23)9-24-11-5-3-4-10(18)8-11/h1-8H,9H2,(H2,19,20,21,22,23)
InChIKeyWVNPZURLKFGDCW-UHFFFAOYSA-N
XLogP3.39
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.20
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-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-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]-2-phenoxyacetamide
CID 9246778
2-(3-fluorophenoxy)-N-phenylacetamide
CID 2709732
(2R)-N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-methylphenoxy)propanamide
CID 9245949
2-naphthalen-2-yloxy-N-(5-quinolin-2-yl-1H-1,2,4-triazol-3-yl)acetamide
CID 167880699
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-3-methylbenzamide
CID 9245913
N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-naphthalen-2-yloxyacetamide
CID 9247104
N-[5-(3-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 9247041
2-(2-ethoxyphenoxy)-N-[5-(4-fluorophenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 9246888
2-(2,6-dimethylphenoxy)-N-[5-(2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]acetamide
CID 55646062
N-(4-bromo-2-chlorophenyl)-2-(3-fluorophenoxy)acetamide
CID 8863320
N-(5-chloro-2-pyridinyl)-2-(3-fluorophenoxy)acetamide
CID 33327531
2-(3-fluorophenoxy)-N-(1H-indol-5-yl)acetamide
CID 110730759

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide?
The IUPAC name of N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide (CID 9245931) is N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide.
What is the SMILES notation for N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide?
The canonical SMILES for N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide is O=C(COc1cccc(F)c1)Nc1n[nH]c(-c2ccccc2Br)n1.
What is the InChIKey of N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide?
The InChIKey is WVNPZURLKFGDCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrFN4O2/c17-13-7-2-1-6-12(13)15-20-16(22-21-15)19-14(23)9-24-11-5-3-4-10(18)8-11/h1-8H,9H2,(H2,19,20,21,22,23).
What are the key properties of N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide?
N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide has a molecular weight of 391.20 g/mol, XLogP of 3.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]-2-(3-fluorophenoxy)acetamide is sourced from PubChem (CID 9245931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).