2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide

C14H15BrClN3O2 — CID 43067442

IUPAC2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCCCn1cccn1
InChIInChI=1S/C14H15BrClN3O2/c15-11-3-4-13(12(16)9-11)21-10-14(20)17-5-1-7-19-8-2-6-18-19/h2-4,6,8-9H,1,5,7,10H2,(H,17,20)
InChIKeyANGADNRNYSFMOG-UHFFFAOYSA-N
MW372.65 g/mol
LogP2.88
Rot. Bonds7

About 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide

2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide (PubChem CID 43067442) has the molecular formula C14H15BrClN3O2 and a molecular weight of 372.65 g/mol. Its IUPAC name is 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
PubChem CID43067442
Molecular FormulaC14H15BrClN3O2
Molecular Weight372.65 g/mol
Exact Mass371.00
IUPAC Name2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
SMILESO=C(COc1ccc(Br)cc1Cl)NCCCn1cccn1
InChIInChI=1S/C14H15BrClN3O2/c15-11-3-4-13(12(16)9-11)21-10-14(20)17-5-1-7-19-8-2-6-18-19/h2-4,6,8-9H,1,5,7,10H2,(H,17,20)
InChIKeyANGADNRNYSFMOG-UHFFFAOYSA-N
XLogP2.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.65
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-chlorophenoxy)-N-[3-(methylamino)propyl]acetamide
CID 119434089
2-(4-bromo-2-chlorophenoxy)-N-(3-piperazin-1-ylpropyl)acetamide
CID 119394421
2-(4-methylphenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 47025675
2-[2-[[2-(4-bromo-2-chlorophenoxy)acetyl]amino]ethylsulfanyl]acetic acid
CID 119241786
1-[(2,4-dichlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19270392
N-benzyl-2-(4-bromo-2-chlorophenoxy)acetamide
CID 2906661
1-[(2-bromo-4-chlorophenoxy)methyl]-N-(3-pyrazol-1-ylpropyl)pyrazole-3-carboxamide
CID 19274625
4-bromo-N-[3-oxo-3-(3-pyrazol-1-ylpropylamino)propyl]benzamide
CID 37394498
2-(6-bromo-4-oxoquinazolin-3-yl)-N-(3-pyrazol-1-ylpropyl)acetamide
CID 55719002
2-(4-bromo-2-chlorophenoxy)-N-(propylcarbamoyl)acetamide
CID 5210911
3-bromo-N-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]ethyl]benzamide
CID 108539659
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
The IUPAC name of 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide (CID 43067442) is 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
The canonical SMILES for 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide is O=C(COc1ccc(Br)cc1Cl)NCCCn1cccn1.
What is the InChIKey of 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
The InChIKey is ANGADNRNYSFMOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O2/c15-11-3-4-13(12(16)9-11)21-10-14(20)17-5-1-7-19-8-2-6-18-19/h2-4,6,8-9H,1,5,7,10H2,(H,17,20).
What are the key properties of 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide?
2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide has a molecular weight of 372.65 g/mol, XLogP of 2.88, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-2-chlorophenoxy)-N-(3-pyrazol-1-ylpropyl)acetamide is sourced from PubChem (CID 43067442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).