6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate

C18H16ClN2O6- — CID 8979033

IUPAC6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate
SMILESCOc1ccc(/C=N\NC(=O)COc2ccccc2Cl)c(C(=O)[O-])c1OC
InChIInChI=1S/C18H17ClN2O6/c1-25-14-8-7-11(16(18(23)24)17(14)26-2)9-20-21-15(22)10-27-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1/b20-9-
InChIKeyQLCSLZYSLADEQJ-UKWGHVSLSA-M
MW391.79 g/mol
LogP1.25
Rot. Bonds8

About 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate

6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate (PubChem CID 8979033) has the molecular formula C18H16ClN2O6- and a molecular weight of 391.79 g/mol. Its IUPAC name is 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate.

Molecular Properties

Compound Name6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate
PubChem CID8979033
Molecular FormulaC18H16ClN2O6-
Molecular Weight391.79 g/mol
Exact Mass391.07
IUPAC Name6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate
SMILESCOc1ccc(/C=N\NC(=O)COc2ccccc2Cl)c(C(=O)[O-])c1OC
InChIInChI=1S/C18H17ClN2O6/c1-25-14-8-7-11(16(18(23)24)17(14)26-2)9-20-21-15(22)10-27-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1/b20-9-
InChIKeyQLCSLZYSLADEQJ-UKWGHVSLSA-M
XLogP1.25
TPSA109.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.79
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

2-(2-chlorophenoxy)-N-[(4-methoxynaphthalen-1-yl)methylideneamino]acetamide
CID 3361863
2-(2-chlorophenoxy)-N-[(2,4-dimethoxyphenyl)methylideneamino]acetamide
CID 958496
2-(2-chlorophenoxy)-N-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]acetamide
CID 4006296
6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 4519390
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-2-naphthalen-1-yloxyacetamide
CID 5191002
2-(2-chlorophenoxy)-N-[(Z)-(3-fluoro-4-methoxyphenyl)methylideneamino]acetamide
CID 8979030
2-[2-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenoxy]acetic acid
CID 1104421
2-(2,3-dichlorophenoxy)-N-[(Z)-(2-hydroxy-3-methoxyphenyl)methylideneamino]acetamide
CID 136808297
2-(2-cyanophenoxy)-N-[(Z)-(2,3,4-trimethoxyphenyl)methylideneamino]acetamide
CID 9467693
[4-[[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 3427707
2-(2-chlorophenoxy)-N-[(2-nitrophenyl)methylideneamino]acetamide
CID 958366
N-[(E)-(2,3-dimethoxyphenyl)methylideneamino]-2-(2-fluorophenoxy)acetamide
CID 6911040

Frequently Asked Questions

What is the IUPAC name of 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The IUPAC name of 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate (CID 8979033) is 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate.
What is the SMILES notation for 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The canonical SMILES for 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate is COc1ccc(/C=N\NC(=O)COc2ccccc2Cl)c(C(=O)[O-])c1OC.
What is the InChIKey of 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The InChIKey is QLCSLZYSLADEQJ-UKWGHVSLSA-M. The full InChI is InChI=1S/C18H17ClN2O6/c1-25-14-8-7-11(16(18(23)24)17(14)26-2)9-20-21-15(22)10-27-13-6-4-3-5-12(13)19/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)/p-1/b20-9-.
What are the key properties of 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate has a molecular weight of 391.79 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate is sourced from PubChem (CID 8979033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).