methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate

C18H17ClN2O4 — CID 9218105

IUPACmethyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C18H17ClN2O4/c1-12-9-14(19)7-8-16(12)25-11-17(22)21-20-10-13-5-3-4-6-15(13)18(23)24-2/h3-10H,11H2,1-2H3,(H,21,22)/b20-10-
InChIKeyKRVXOCKGSBKSHF-JMIUGGIZSA-N
MW360.80 g/mol
LogP2.96
Rot. Bonds6

About methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate

methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate (PubChem CID 9218105) has the molecular formula C18H17ClN2O4 and a molecular weight of 360.80 g/mol. Its IUPAC name is methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
PubChem CID9218105
Molecular FormulaC18H17ClN2O4
Molecular Weight360.80 g/mol
Exact Mass360.09
IUPAC Namemethyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate
SMILESCOC(=O)c1ccccc1/C=N\NC(=O)COc1ccc(Cl)cc1C
InChIInChI=1S/C18H17ClN2O4/c1-12-9-14(19)7-8-16(12)25-11-17(22)21-20-10-13-5-3-4-6-15(13)18(23)24-2/h3-10H,11H2,1-2H3,(H,21,22)/b20-10-
InChIKeyKRVXOCKGSBKSHF-JMIUGGIZSA-N
XLogP2.96
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.80
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-(2-bromophenyl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 9317278
2-(4-chloro-2-methylphenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 766399
methyl 2-[(Z)-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217540
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]acetamide
CID 6165893
2-[(E)-[[2-(2,4-dimethylphenoxy)acetyl]hydrazinylidene]methyl]benzoic acid
CID 19190263
2-(4-chloro-2-methylphenoxy)-N-[(4-methoxy-3-methylphenyl)methylideneamino]acetamide
CID 4980388
N-[(Z)-(1-benzylindol-3-yl)methylideneamino]-2-(4-chloro-2-methylphenoxy)acetamide
CID 51393753
methyl 2-[(Z)-[[2-(4-methoxyphenoxy)acetyl]hydrazinylidene]methyl]benzoate
CID 9217614
2-(2,4-dimethylphenoxy)-N-[(E)-(2-methoxyphenyl)methylideneamino]acetamide
CID 6891509
2-(4-chloro-2-methylphenoxy)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 135837461
3-[(E)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate
CID 7334056
2-(4-chloro-2-iodophenoxy)-N-[(5-chloro-2-methoxyphenyl)methylideneamino]acetamide
CID 3097765

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The IUPAC name of methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate (CID 9218105) is methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate.
What is the SMILES notation for methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The canonical SMILES for methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate is COC(=O)c1ccccc1/C=N\NC(=O)COc1ccc(Cl)cc1C.
What is the InChIKey of methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
The InChIKey is KRVXOCKGSBKSHF-JMIUGGIZSA-N. The full InChI is InChI=1S/C18H17ClN2O4/c1-12-9-14(19)7-8-16(12)25-11-17(22)21-20-10-13-5-3-4-6-15(13)18(23)24-2/h3-10H,11H2,1-2H3,(H,21,22)/b20-10-.
What are the key properties of methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate?
methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate has a molecular weight of 360.80 g/mol, XLogP of 2.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(Z)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]benzoate is sourced from PubChem (CID 9218105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).