N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide

C12H12ClN3O2 — CID 115753081

IUPACN-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
SMILESCn1cc(OCC(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-16-7-9(6-14-16)18-8-12(17)15-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyNZSVCGYWGWOLMU-UHFFFAOYSA-N
MW265.70 g/mol
LogP2.09
Rot. Bonds4

About N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide

N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide (PubChem CID 115753081) has the molecular formula C12H12ClN3O2 and a molecular weight of 265.70 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
PubChem CID115753081
Molecular FormulaC12H12ClN3O2
Molecular Weight265.70 g/mol
Exact Mass265.06
IUPAC NameN-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide
SMILESCn1cc(OCC(=O)Nc2ccccc2Cl)cn1
InChIInChI=1S/C12H12ClN3O2/c1-16-7-9(6-14-16)18-8-12(17)15-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,15,17)
InChIKeyNZSVCGYWGWOLMU-UHFFFAOYSA-N
XLogP2.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.70
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 43504310
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CID 116805188
3-[2-(2-chloroanilino)-2-oxoethoxy]benzoate
CID 2229520
2-[3-[(1R)-1-aminoethyl]phenoxy]-N-(2-chlorophenyl)acetamide
CID 78930302
N-(2-methoxyphenyl)-2-(1-propylpyrazol-4-yl)oxyacetamide
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CID 91696728
N-(2-chlorophenyl)-2-[4-(3-oxobutyl)phenoxy]acetamide
CID 7643095
2-(4-carbamothioylphenoxy)-N-(2-chlorophenyl)acetamide
CID 28547111
N-(2-chlorophenyl)-2-(2,3,6-trimethylphenoxy)acetamide
CID 731196
N-(2-chlorophenyl)-2-[3-(hydroxyiminomethyl)phenoxy]acetamide
CID 1285426
2-(2-chlorophenoxy)-N-[2-[[2-(2-chlorophenoxy)acetyl]amino]phenyl]acetamide
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CID 2611371

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide (CID 115753081) is N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide is Cn1cc(OCC(=O)Nc2ccccc2Cl)cn1.
What is the InChIKey of N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide?
The InChIKey is NZSVCGYWGWOLMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O2/c1-16-7-9(6-14-16)18-8-12(17)15-11-5-3-2-4-10(11)13/h2-7H,8H2,1H3,(H,15,17).
What are the key properties of N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide?
N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide has a molecular weight of 265.70 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(1-methylpyrazol-4-yl)oxyacetamide is sourced from PubChem (CID 115753081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).