2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

C20H17Cl3N4O3 — CID 141334972

IUPAC2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1nn(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C20H17Cl3N4O3/c1-24-19(28)18(26-29-2)14-6-4-3-5-12(14)11-30-20-16(23)10-27(25-20)17-8-7-13(21)9-15(17)22/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyBUJIHSULADOTTB-UHFFFAOYSA-N
MW467.74 g/mol
LogP4.51
Rot. Bonds7

About 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide

2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 141334972) has the molecular formula C20H17Cl3N4O3 and a molecular weight of 467.74 g/mol. Its IUPAC name is 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID141334972
Molecular FormulaC20H17Cl3N4O3
Molecular Weight467.74 g/mol
Exact Mass466.04
IUPAC Name2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCNC(=O)C(=NOC)c1ccccc1COc1nn(-c2ccc(Cl)cc2Cl)cc1Cl
InChIInChI=1S/C20H17Cl3N4O3/c1-24-19(28)18(26-29-2)14-6-4-3-5-12(14)11-30-20-16(23)10-27(25-20)17-8-7-13(21)9-15(17)22/h3-10H,11H2,1-2H3,(H,24,28)
InChIKeyBUJIHSULADOTTB-UHFFFAOYSA-N
XLogP4.51
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.74
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-[2-[[3-(4-chlorophenyl)-1-methylpyrazol-5-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 45276658
(2E)-2-[2-[[4-chloro-1-[3-(trifluoromethoxy)cyclohexa-2,4-dien-1-yl]pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 172951024
(2E)-2-[2-[(3,5-dichloro-4-methoxyphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87773755
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
(2E)-2-[2-[[3-chloro-5-(1-hydroxy-1-phenylethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59971089
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
2-[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54211615
2-[2-[[3,5-dichloro-4-(2,2-dimethylpropoxy)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 173157091
(2Z)-2-[2-[[3-chloro-5-(1-phenylmethoxyethyl)-2-pyridinyl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide;methane
CID 172959408
(2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87774025

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 141334972) is 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is CNC(=O)C(=NOC)c1ccccc1COc1nn(-c2ccc(Cl)cc2Cl)cc1Cl.
What is the InChIKey of 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is BUJIHSULADOTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17Cl3N4O3/c1-24-19(28)18(26-29-2)14-6-4-3-5-12(14)11-30-20-16(23)10-27(25-20)17-8-7-13(21)9-15(17)22/h3-10H,11H2,1-2H3,(H,24,28).
What are the key properties of 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide?
2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 467.74 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[4-chloro-1-(2,4-dichlorophenyl)pyrazol-3-yl]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 141334972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).