2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide

C16H19Cl2N3O2 — CID 55980921

IUPAC2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1)Cn1cccn1
InChIInChI=1S/C16H19Cl2N3O2/c1-11(10-21-7-3-6-20-21)9-19-16(22)12(2)23-13-4-5-14(17)15(18)8-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyNINHRAUTPKMFOK-UHFFFAOYSA-N
MW356.25 g/mol
LogP3.41
Rot. Bonds7

About 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide

2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide (PubChem CID 55980921) has the molecular formula C16H19Cl2N3O2 and a molecular weight of 356.25 g/mol. Its IUPAC name is 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide.

Molecular Properties

Compound Name2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
PubChem CID55980921
Molecular FormulaC16H19Cl2N3O2
Molecular Weight356.25 g/mol
Exact Mass355.09
IUPAC Name2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
SMILESCC(CNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1)Cn1cccn1
InChIInChI=1S/C16H19Cl2N3O2/c1-11(10-21-7-3-6-20-21)9-19-16(22)12(2)23-13-4-5-14(17)15(18)8-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
InChIKeyNINHRAUTPKMFOK-UHFFFAOYSA-N
XLogP3.41
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)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

N-(2-methyl-3-pyrazol-1-ylpropyl)-2-(4-phenylphenoxy)propanamide
CID 60515248
2-(2,5-dichlorophenyl)sulfanyl-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide
CID 55980923
2-(3,4-dichlorophenoxy)-N-(2-hydroxyethyl)propanamide
CID 78889646
2-(3,4-dichlorophenoxy)-N-(3-methylbutyl)propanamide
CID 134038130
2-(3,4-dichlorophenoxy)-N-[2-(ethylamino)ethyl]propanamide;hydrochloride
CID 119505468
(2S)-2-(3,4-dichlorophenoxy)-N-[(2-methoxyphenyl)methyl]propanamide
CID 26539751
2-(3,4-dichlorophenoxy)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430309
1-[2-(4-chlorophenoxy)propyl]-2-methyl-3-(2-methyl-3-pyrazol-1-ylpropyl)guanidine;hydroiodide
CID 111680479
2-chloro-N-[1-[(2-methyl-3-pyrazol-1-ylpropyl)amino]-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55733989
2-(3,4-dichlorophenoxy)-N-propan-2-ylpropanamide
CID 47109802
4-amino-5-chloro-2-methoxy-N-(2-methyl-3-pyrazol-1-ylpropyl)benzamide
CID 119734148
(2S)-2-amino-4-methyl-N-(2-methyl-3-pyrazol-1-ylpropyl)pentanamide;hydrochloride
CID 119734157

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
The IUPAC name of 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide (CID 55980921) is 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide.
What is the SMILES notation for 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
The canonical SMILES for 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide is CC(CNC(=O)C(C)Oc1ccc(Cl)c(Cl)c1)Cn1cccn1.
What is the InChIKey of 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
The InChIKey is NINHRAUTPKMFOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O2/c1-11(10-21-7-3-6-20-21)9-19-16(22)12(2)23-13-4-5-14(17)15(18)8-13/h3-8,11-12H,9-10H2,1-2H3,(H,19,22).
What are the key properties of 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide?
2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide has a molecular weight of 356.25 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenoxy)-N-(2-methyl-3-pyrazol-1-ylpropyl)propanamide is sourced from PubChem (CID 55980921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).