2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide

C13H14ClN3O2 — CID 31921139

IUPAC2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cnn(C)c1
InChIInChI=1S/C13H14ClN3O2/c1-9-5-10(14)3-4-12(9)19-8-13(18)16-11-6-15-17(2)7-11/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyCBZNUPLQGLLAQM-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.40
Rot. Bonds4

About 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide

2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide (PubChem CID 31921139) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
PubChem CID31921139
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide
SMILESCc1cc(Cl)ccc1OCC(=O)Nc1cnn(C)c1
InChIInChI=1S/C13H14ClN3O2/c1-9-5-10(14)3-4-12(9)19-8-13(18)16-11-6-15-17(2)7-11/h3-7H,8H2,1-2H3,(H,16,18)
InChIKeyCBZNUPLQGLLAQM-UHFFFAOYSA-N
XLogP2.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 16789348
(1-methylpyrazol-4-yl)methyl 2-(4-chloro-2-methylphenoxy)acetate
CID 78797837
2-(4-chloro-2-methylphenoxy)-N-(3,5-dibromo-4-hydroxyphenyl)acetamide
CID 5119772
N-(3-amino-4-fluorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29036010
N-(3-chloro-4-fluorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 800993
N-(3-amino-4-methoxyphenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 50878679
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
2-(4-chloro-2-methylphenoxy)-N-(2,6-dimethylphenyl)acetamide
CID 803437
2-(4-chloro-2-methylphenoxy)-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 1226684
2-chloro-4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]benzamide
CID 55611309
N-(2-amino-4-chlorophenyl)-2-(4-chloro-2-methylphenoxy)acetamide
CID 29045302
N-[4-(4-acetylpiperazin-1-yl)-3-chlorophenyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 4021519

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The IUPAC name of 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide (CID 31921139) is 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide is Cc1cc(Cl)ccc1OCC(=O)Nc1cnn(C)c1.
What is the InChIKey of 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
The InChIKey is CBZNUPLQGLLAQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-9-5-10(14)3-4-12(9)19-8-13(18)16-11-6-15-17(2)7-11/h3-7H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide?
2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide has a molecular weight of 279.73 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylphenoxy)-N-(1-methylpyrazol-4-yl)acetamide is sourced from PubChem (CID 31921139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).