(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide

C19H21ClN2O3 — CID 22415752

IUPAC(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide
SMILESCCO/N=C(\C(=O)NC)c1ccccc1COc1ccc(Cl)cc1C
InChIInChI=1S/C19H21ClN2O3/c1-4-25-22-18(19(23)21-3)16-8-6-5-7-14(16)12-24-17-10-9-15(20)11-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,23)/b22-18-
InChIKeyQIPUSCLZBMDAHG-PYCFMQQDSA-N
MW360.84 g/mol
LogP3.71
Rot. Bonds7

About (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide

(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide (PubChem CID 22415752) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide
PubChem CID22415752
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide
SMILESCCO/N=C(\C(=O)NC)c1ccccc1COc1ccc(Cl)cc1C
InChIInChI=1S/C19H21ClN2O3/c1-4-25-22-18(19(23)21-3)16-8-6-5-7-14(16)12-24-17-10-9-15(20)11-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,23)/b22-18-
InChIKeyQIPUSCLZBMDAHG-PYCFMQQDSA-N
XLogP3.71
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.84
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(4-hydroxy-2-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 59898777
(2Z)-2-methoxyimino-N-methyl-2-[2-[(2-methylphenoxy)methyl]phenyl]acetamide
CID 15335383
(2E)-2-[2-[[4-(2,2-dibromoethenyl)-2-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87558866
2-[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54211615
2-[2-[(3-chloro-5-methylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 142647261
2-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-2-ethoxyiminoacetamide
CID 74017841
(2E)-2-[2-[(2,4-dimethylphenoxy)methyl]phenyl]-2-methoxyiminoacetyl chloride
CID 22878398
2-ethoxyimino-2-[2-(phenoxymethyl)phenyl]acetyl chloride
CID 54129940
2-[2-[(2-chloro-3-pyridinyl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54236155
(2E)-2-[2-[[2-(2,2-dichloroethenyl)-4-methylphenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87559446
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 22419059
2-[2-[[[1-(4-ethoxy-2-methylphenyl)-1-methoxyiminopropan-2-ylidene]amino]oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54525341

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide?
The IUPAC name of (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide (CID 22415752) is (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide.
What is the SMILES notation for (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide?
The canonical SMILES for (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide is CCO/N=C(\C(=O)NC)c1ccccc1COc1ccc(Cl)cc1C.
What is the InChIKey of (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide?
The InChIKey is QIPUSCLZBMDAHG-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-25-22-18(19(23)21-3)16-8-6-5-7-14(16)12-24-17-10-9-15(20)11-13(17)2/h5-11H,4,12H2,1-3H3,(H,21,23)/b22-18-.
What are the key properties of (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide?
(2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide has a molecular weight of 360.84 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[2-[(4-chloro-2-methylphenoxy)methyl]phenyl]-2-ethoxyimino-N-methylacetamide is sourced from PubChem (CID 22415752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).