(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

C19H21ClN2O3 — CID 22419059

IUPAC(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCCc1cc(OCc2ccccc2/C(=N/OC)C(=O)NC)ccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-4-13-11-15(9-10-17(13)20)25-12-14-7-5-6-8-16(14)18(22-24-3)19(23)21-2/h5-11H,4,12H2,1-3H3,(H,21,23)/b22-18-
InChIKeyXPDYVLLVZYHPMY-PYCFMQQDSA-N
MW360.84 g/mol
LogP3.58
Rot. Bonds7

About (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide

(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (PubChem CID 22419059) has the molecular formula C19H21ClN2O3 and a molecular weight of 360.84 g/mol. Its IUPAC name is (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.

Molecular Properties

Compound Name(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
PubChem CID22419059
Molecular FormulaC19H21ClN2O3
Molecular Weight360.84 g/mol
Exact Mass360.12
IUPAC Name(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide
SMILESCCc1cc(OCc2ccccc2/C(=N/OC)C(=O)NC)ccc1Cl
InChIInChI=1S/C19H21ClN2O3/c1-4-13-11-15(9-10-17(13)20)25-12-14-7-5-6-8-16(14)18(22-24-3)19(23)21-2/h5-11H,4,12H2,1-3H3,(H,21,23)/b22-18-
InChIKeyXPDYVLLVZYHPMY-PYCFMQQDSA-N
XLogP3.58
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 ≤ 53.58
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-[(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
2-[2-[[3,5-dichloro-4-(2,2-dimethylpropoxy)phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 173157091
(2Z)-2-(2-ethylphenyl)-2-methoxyimino-N-methylacetamide
CID 22886048
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22847652
2-[2-[(4-chloronaphthalen-1-yl)oxymethyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 54211615
(2E)-2-[2-[[3,5-dichloro-4-[2-(2-ethoxyethoxy)ethoxy]phenoxy]methyl]phenyl]-2-methoxyimino-N-methylacetamide
CID 87774025
(2Z)-2-methoxyimino-N-methyl-2-[2-[(4-propan-2-yloxyphenoxy)methyl]phenyl]acetamide
CID 22419100
(2E)-2-methoxyimino-N-methyl-2-[2-[(4-prop-2-ynoxyphenoxy)methyl]phenyl]acetamide
CID 22419093
2-[(4-chloro-3-ethylphenoxy)methyl]benzoic acid
CID 43473200
(2E)-2-methoxyimino-N-methyl-2-[2-(pyrimidin-2-yloxymethyl)phenyl]acetamide
CID 19429899
(2E)-2-methoxyimino-N-methyl-2-[2-[(3-oxo-1-benzofuran-6-yl)oxymethyl]phenyl]acetamide
CID 22457454

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The IUPAC name of (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide (CID 22419059) is (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide.
What is the SMILES notation for (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The canonical SMILES for (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is CCc1cc(OCc2ccccc2/C(=N/OC)C(=O)NC)ccc1Cl.
What is the InChIKey of (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
The InChIKey is XPDYVLLVZYHPMY-PYCFMQQDSA-N. The full InChI is InChI=1S/C19H21ClN2O3/c1-4-13-11-15(9-10-17(13)20)25-12-14-7-5-6-8-16(14)18(22-24-3)19(23)21-2/h5-11H,4,12H2,1-3H3,(H,21,23)/b22-18-.
What are the key properties of (2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide?
(2Z)-2-[2-[(4-chloro-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide has a molecular weight of 360.84 g/mol, XLogP of 3.58, 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-3-ethylphenoxy)methyl]phenyl]-2-methoxyimino-N-methylacetamide is sourced from PubChem (CID 22419059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).