ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate

C19H19ClN2O5 — CID 126208707

IUPACethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC
InChIInChI=1S/C19H19ClN2O5/c1-3-26-18(23)12-27-17-9-13(7-8-16(17)25-2)11-21-22-19(24)14-5-4-6-15(20)10-14/h4-11H,3,12H2,1-2H3,(H,22,24)/b21-11+
InChIKeyRBQFOSWELTVMRA-SRZZPIQSSA-N
MW390.82 g/mol
LogP3.05
Rot. Bonds8

About ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate

ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate (PubChem CID 126208707) has the molecular formula C19H19ClN2O5 and a molecular weight of 390.82 g/mol. Its IUPAC name is ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
PubChem CID126208707
Molecular FormulaC19H19ClN2O5
Molecular Weight390.82 g/mol
Exact Mass390.10
IUPAC Nameethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate
SMILESCCOC(=O)COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC
InChIInChI=1S/C19H19ClN2O5/c1-3-26-18(23)12-27-17-9-13(7-8-16(17)25-2)11-21-22-19(24)14-5-4-6-15(20)10-14/h4-11H,3,12H2,1-2H3,(H,22,24)/b21-11+
InChIKeyRBQFOSWELTVMRA-SRZZPIQSSA-N
XLogP3.05
TPSA86.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.82
LogP ≤ 53.05
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

3-chloro-N-[(Z)-(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]benzamide
CID 94847745
3-amino-N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]benzamide
CID 110512153
N-[(3-chlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 2693736
[4-[[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 715847
3-chloro-N-[(Z)-[4-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]benzamide
CID 9174936
3-chloro-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzamide
CID 94851424
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-3,4-diethoxybenzamide
CID 126324627
ethyl 2-[4-[(carbamothioylhydrazinylidene)methyl]-2-methoxyphenoxy]acetate
CID 4279032
ethyl 2-[2-bromo-4-[[[2-[(3-chlorobenzoyl)amino]-3-methylbutanoyl]hydrazinylidene]methyl]-6-methoxyphenoxy]acetate
CID 3312045
[4-[(Z)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-ethoxyphenyl] 2,4-dichlorobenzoate
CID 6109352
[4-[[(3,4-dimethoxybenzoyl)hydrazinylidene]methyl]phenyl] 3-chlorobenzoate
CID 3793766
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 110506034

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate?
The IUPAC name of ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate (CID 126208707) is ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate.
What is the SMILES notation for ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate?
The canonical SMILES for ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate is CCOC(=O)COc1cc(/C=N/NC(=O)c2cccc(Cl)c2)ccc1OC.
What is the InChIKey of ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate?
The InChIKey is RBQFOSWELTVMRA-SRZZPIQSSA-N. The full InChI is InChI=1S/C19H19ClN2O5/c1-3-26-18(23)12-27-17-9-13(7-8-16(17)25-2)11-21-22-19(24)14-5-4-6-15(20)10-14/h4-11H,3,12H2,1-2H3,(H,22,24)/b21-11+.
What are the key properties of ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate?
ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate has a molecular weight of 390.82 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[(E)-[(3-chlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenoxy]acetate is sourced from PubChem (CID 126208707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).