ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate

C18H17ClN2O2 — CID 134869594

IUPACethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N\Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-2-23-18(22)17(19)21-20-16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-13,20H,2H2,1H3/b13-12+,21-17+
InChIKeyBWSYGLQOYKGKCZ-SQWDPEPJSA-N
MW328.80 g/mol
LogP4.38
Rot. Bonds6

About ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate

ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate (PubChem CID 134869594) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate.

Molecular Properties

Compound Nameethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate
PubChem CID134869594
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC Nameethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate
SMILESCCOC(=O)/C(Cl)=N\Nc1ccccc1/C=C/c1ccccc1
InChIInChI=1S/C18H17ClN2O2/c1-2-23-18(22)17(19)21-20-16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-13,20H,2H2,1H3/b13-12+,21-17+
InChIKeyBWSYGLQOYKGKCZ-SQWDPEPJSA-N
XLogP4.38
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.38
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

ethyl (2E)-2-chloro-2-[[2-(difluoromethoxy)phenyl]hydrazinylidene]acetate
CID 130194422
ethyl acetate;stilbene
CID 159556390
ethyl carbamate;stilbene
CID 175156091
ethyl (2Z)-2-chloro-2-[(2,5-difluorophenyl)hydrazinylidene]acetate
CID 59664793
ethyl 2-chloro-2-[[chloro(phenyl)methylidene]hydrazinylidene]acetate
CID 129251287
ethyl (3E,5E)-2-oxo-6-phenylhexa-3,5-dienoate
CID 10933281
ethyl (E)-2,4-dioxo-6-phenylhex-5-enoate
CID 5374346
N-ethyl-2-(2-phenylethenyl)aniline
CID 152532004
propan-2-yl N-[2-[(E)-2-phenylethenyl]phenyl]carbamate
CID 154705773
tert-butyl (2E)-2-[(2-benzoylphenyl)hydrazinylidene]-2-chloroacetate
CID 134877323
ethyl (2E,4E)-2-fluoro-3,5-diphenylpenta-2,4-dienoate
CID 15134977
ethyl N-[2-[(1Z)-buta-1,3-dienyl]phenyl]carbamate
CID 54598171

Frequently Asked Questions

What is the IUPAC name of ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate?
The IUPAC name of ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate (CID 134869594) is ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate.
What is the SMILES notation for ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate?
The canonical SMILES for ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate is CCOC(=O)/C(Cl)=N\Nc1ccccc1/C=C/c1ccccc1.
What is the InChIKey of ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate?
The InChIKey is BWSYGLQOYKGKCZ-SQWDPEPJSA-N. The full InChI is InChI=1S/C18H17ClN2O2/c1-2-23-18(22)17(19)21-20-16-11-7-6-10-15(16)13-12-14-8-4-3-5-9-14/h3-13,20H,2H2,1H3/b13-12+,21-17+.
What are the key properties of ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate?
ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate has a molecular weight of 328.80 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2E)-2-chloro-2-[[2-[(E)-2-phenylethenyl]phenyl]hydrazinylidene]acetate is sourced from PubChem (CID 134869594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).