2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide

C18H15BrClN3O2 — CID 55548071

IUPAC2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H15BrClN3O2/c1-12(25-16-8-7-13(20)11-15(16)19)18(24)21-17-9-10-23(22-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,24)
InChIKeyJRTNQYVVKKBORW-UHFFFAOYSA-N
MW420.69 g/mol
LogP4.69
Rot. Bonds5

About 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide

2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide (PubChem CID 55548071) has the molecular formula C18H15BrClN3O2 and a molecular weight of 420.69 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
PubChem CID55548071
Molecular FormulaC18H15BrClN3O2
Molecular Weight420.69 g/mol
Exact Mass419.00
IUPAC Name2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide
SMILESCC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccn(-c2ccccc2)n1
InChIInChI=1S/C18H15BrClN3O2/c1-12(25-16-8-7-13(20)11-15(16)19)18(24)21-17-9-10-23(22-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,24)
InChIKeyJRTNQYVVKKBORW-UHFFFAOYSA-N
XLogP4.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.69
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide 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

2-(2-bromo-4-chlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 17231996
ethyl 5-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-1-phenylpyrazole-4-carboxylate
CID 108761442
N-benzyl-2-(2-bromo-4-chlorophenoxy)propanamide
CID 4981350
(2R)-2-(2-bromo-4-chlorophenoxy)-N-propan-2-ylpropanamide
CID 40773106
2-[[(2R)-2-(2-bromo-4-chlorophenoxy)propanoyl]amino]benzamide
CID 40771324
2-(4-bromo-1-phenylpyrazol-3-yl)oxy-N-(1-methylpyrazol-3-yl)propanamide
CID 110210628
2-[2-(2-bromo-4-chlorophenoxy)propanoylamino]propanoic acid
CID 43170814
N-(4-aminophenyl)-2-(2-bromo-4-chlorophenoxy)propanamide
CID 43080396
2-(2-bromo-4-chlorophenoxy)-N-(3-fluorophenyl)propanamide
CID 54788434
(2R)-N-phenyl-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100819963
(2R)-N-(5-methyl-1,2-oxazol-3-yl)-2-(1-phenylpyrazol-3-yl)oxypropanamide
CID 100828981
4-[2-[2-(2-bromo-4-chlorophenoxy)propanoyl]hydrazinyl]-4-oxo-N-phenylbutanamide
CID 4981485

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
The IUPAC name of 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide (CID 55548071) is 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide is CC(Oc1ccc(Cl)cc1Br)C(=O)Nc1ccn(-c2ccccc2)n1.
What is the InChIKey of 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
The InChIKey is JRTNQYVVKKBORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrClN3O2/c1-12(25-16-8-7-13(20)11-15(16)19)18(24)21-17-9-10-23(22-17)14-5-3-2-4-6-14/h2-12H,1H3,(H,21,22,24).
What are the key properties of 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide?
2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide has a molecular weight of 420.69 g/mol, XLogP of 4.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenoxy)-N-(1-phenylpyrazol-3-yl)propanamide is sourced from PubChem (CID 55548071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).