(2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide

C18H15Cl2N3O3 — CID 1337108

IUPAC(2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H15Cl2N3O3/c1-11(26-15-8-7-12(19)9-14(15)20)18(25)21-16-10-17(24)23(22-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,22,25)/t11-/m1/s1
InChIKeyHVLZJTHVKXQUHZ-LLVKDONJSA-N
MW392.24 g/mol
LogP3.63
Rot. Bonds4

About (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide

(2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide (PubChem CID 1337108) has the molecular formula C18H15Cl2N3O3 and a molecular weight of 392.24 g/mol. Its IUPAC name is (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide
PubChem CID1337108
Molecular FormulaC18H15Cl2N3O3
Molecular Weight392.24 g/mol
Exact Mass391.05
IUPAC Name(2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide
SMILESC[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1=NN(c2ccccc2)C(=O)C1
InChIInChI=1S/C18H15Cl2N3O3/c1-11(26-15-8-7-12(19)9-14(15)20)18(25)21-16-10-17(24)23(22-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,22,25)/t11-/m1/s1
InChIKeyHVLZJTHVKXQUHZ-LLVKDONJSA-N
XLogP3.63
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.24
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(2,4-dichlorophenoxy)-N-pyrimidin-2-ylpropanamide
CID 672613
N-[4-[[(2S)-2-(2,4-dichlorophenoxy)propanoyl]amino]phenyl]-2-methylpropanamide
CID 1293450
(2R)-N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 1010932
2-(2,4-dichlorophenoxy)-N-(phenylcarbamoyl)propanamide
CID 24569411
(2R)-2-(2,4-dichlorophenoxy)-N-naphthalen-2-ylpropanamide
CID 7723467
2-[2-[2-(2,4-dichlorophenoxy)propanoyl]hydrazinyl]-2-oxo-N-phenylacetamide
CID 17078734
(2S)-2-(2,4-dichlorophenoxy)-N-quinolin-2-ylpropanamide
CID 1075192
(2R)-2-(2,4-dichlorophenoxy)-N-(2-fluorophenyl)propanamide
CID 881150
(2R)-2-(2,4-dichlorophenoxy)-N-(2-ethylphenyl)propanamide
CID 785428
(2R)-2-(2,4-dichlorophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1335441
(2R)-2-(2,4-dichlorophenoxy)-N-(3-methylphenyl)propanamide
CID 2164297
N-(4-bromophenyl)-2-(2,4-dichlorophenoxy)propanamide
CID 2725599

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide (CID 1337108) is (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide is C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC1=NN(c2ccccc2)C(=O)C1.
What is the InChIKey of (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide?
The InChIKey is HVLZJTHVKXQUHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C18H15Cl2N3O3/c1-11(26-15-8-7-12(19)9-14(15)20)18(25)21-16-10-17(24)23(22-16)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3,(H,21,22,25)/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide?
(2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide has a molecular weight of 392.24 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichlorophenoxy)-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)propanamide is sourced from PubChem (CID 1337108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).