benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate

C15H11Cl3N2O2 — CID 98118001

IUPACbenzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate
SMILESO=C(OCc1ccccc1)/C(Cl)=N/Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl3N2O2/c16-11-6-12(17)8-13(7-11)19-20-14(18)15(21)22-9-10-4-2-1-3-5-10/h1-8,19H,9H2/b20-14-
InChIKeyCJRYPBMUIXWQTO-ZHZULCJRSA-N
MW357.62 g/mol
LogP4.70
Rot. Bonds5

About benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate

benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate (PubChem CID 98118001) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namebenzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate
PubChem CID98118001
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Namebenzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate
SMILESO=C(OCc1ccccc1)/C(Cl)=N/Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C15H11Cl3N2O2/c16-11-6-12(17)8-13(7-11)19-20-14(18)15(21)22-9-10-4-2-1-3-5-10/h1-8,19H,9H2/b20-14-
InChIKeyCJRYPBMUIXWQTO-ZHZULCJRSA-N
XLogP4.70
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.62
LogP ≤ 54.70
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

benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
CID 44891149
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766
benzyl 2-chloro-2-oxoacetate
CID 11019858
benzyl N-[3-(3,5-dichloroanilino)cyclobutyl]carbamate
CID 103392779
benzyl carbonochloridate
CID 10387
2-(3,5-dichlorophenyl)-2-(phenylmethoxycarbonylamino)acetic acid
CID 22309293
benzyl N-(3,5-dichloro-4-hydroxyphenyl)carbamate
CID 22048547
thiophen-2-ylmethyl (2Z)-2-chloro-2-[(4-methylphenyl)hydrazinylidene]acetate
CID 10518922
dimethyl 2-[4-[1,3-dioxo-1,3-bis(phenylmethoxy)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedioate
CID 101114631
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
benzyl N-[(E)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 146162370
benzyl (2,4,6-trichlorophenyl) carbonate
CID 165347479

Frequently Asked Questions

What is the IUPAC name of benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate?
The IUPAC name of benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate (CID 98118001) is benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate is O=C(OCc1ccccc1)/C(Cl)=N/Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate?
The InChIKey is CJRYPBMUIXWQTO-ZHZULCJRSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c16-11-6-12(17)8-13(7-11)19-20-14(18)15(21)22-9-10-4-2-1-3-5-10/h1-8,19H,9H2/b20-14-.
What are the key properties of benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate?
benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate has a molecular weight of 357.62 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 98118001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).