N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide

C18H15BrFN3O — CID 22594939

IUPACN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide
SMILESCn1cc(Br)c(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)n1
InChIInChI=1S/C18H15BrFN3O/c1-23-11-16(19)18(22-23)13-5-3-7-15(10-13)21-17(24)9-12-4-2-6-14(20)8-12/h2-8,10-11H,9H2,1H3,(H,21,24)
InChIKeyZOPVNMHKBJZXGJ-UHFFFAOYSA-N
MW388.24 g/mol
LogP4.17
Rot. Bonds4

About N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide

N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide (PubChem CID 22594939) has the molecular formula C18H15BrFN3O and a molecular weight of 388.24 g/mol. Its IUPAC name is N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide
PubChem CID22594939
Molecular FormulaC18H15BrFN3O
Molecular Weight388.24 g/mol
Exact Mass387.04
IUPAC NameN-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide
SMILESCn1cc(Br)c(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)n1
InChIInChI=1S/C18H15BrFN3O/c1-23-11-16(19)18(22-23)13-5-3-7-15(10-13)21-17(24)9-12-4-2-6-14(20)8-12/h2-8,10-11H,9H2,1H3,(H,21,24)
InChIKeyZOPVNMHKBJZXGJ-UHFFFAOYSA-N
XLogP4.17
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.24
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)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-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-methoxyphenyl)acetamide
CID 15896225
1-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 18615997
N-[3-[5-(4-amino-[1,3]thiazolo[3,2-a][1,3,5]triazin-5-ium-6-yl)-1-methylimidazol-4-yl]phenyl]-2-(3-fluorophenyl)acetamide
CID 91168048
2-[[3-(4-bromo-1-methylpyrazol-3-yl)anilino]methylidene]propanedinitrile
CID 168545117
N-(3,4-dimethylphenyl)-2-(3-fluorophenyl)acetamide
CID 8743428
N-(3-amino-4-ethylphenyl)-2-(3-fluorophenyl)acetamide
CID 43550262
2-[(3-ethyl-1-methylpyrazol-4-yl)methylamino]-N-(3-fluorophenyl)acetamide
CID 115885607
N-(4-acetylphenyl)-2-(3-fluorophenyl)acetamide
CID 8023465
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]cyclopropanecarboxamide
CID 38324619
N-[3-[[2-(3-fluorophenyl)acetyl]amino]phenyl]-2-pyrazol-1-ylpropanamide
CID 46432285
N-(4-bromo-2,5-difluorophenyl)-2-(3-fluorophenyl)acetamide
CID 103842716
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide (CID 22594939) is N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide is Cn1cc(Br)c(-c2cccc(NC(=O)Cc3cccc(F)c3)c2)n1.
What is the InChIKey of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide?
The InChIKey is ZOPVNMHKBJZXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrFN3O/c1-23-11-16(19)18(22-23)13-5-3-7-15(10-13)21-17(24)9-12-4-2-6-14(20)8-12/h2-8,10-11H,9H2,1H3,(H,21,24).
What are the key properties of N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide?
N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide has a molecular weight of 388.24 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-1-methylpyrazol-3-yl)phenyl]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 22594939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).