2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide

C14H15Cl2N3O2 — CID 841892

IUPAC2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O2/c1-9-10(7-19(2)18-9)6-17-14(20)8-21-13-4-3-11(15)5-12(13)16/h3-5,7H,6,8H2,1-2H3,(H,17,20)
InChIKeyDCCUJONLPHUHQX-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.73
Rot. Bonds5

About 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide

2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide (PubChem CID 841892) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
PubChem CID841892
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide
SMILESCc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C14H15Cl2N3O2/c1-9-10(7-19(2)18-9)6-17-14(20)8-21-13-4-3-11(15)5-12(13)16/h3-5,7H,6,8H2,1-2H3,(H,17,20)
InChIKeyDCCUJONLPHUHQX-UHFFFAOYSA-N
XLogP2.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide (CID 841892) is 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide is Cc1nn(C)cc1CNC(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
The InChIKey is DCCUJONLPHUHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-9-10(7-19(2)18-9)6-17-14(20)8-21-13-4-3-11(15)5-12(13)16/h3-5,7H,6,8H2,1-2H3,(H,17,20).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide?
2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide has a molecular weight of 328.20 g/mol, XLogP of 2.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[(1,3-dimethylpyrazol-4-yl)methyl]acetamide is sourced from PubChem (CID 841892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).