benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate

C15H11Cl3N2O2 — CID 44891149

IUPACbenzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
SMILESO=C(OCc1ccccc1)/C(Cl)=N\Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c16-11-7-4-8-12(17)13(11)19-20-14(18)15(21)22-9-10-5-2-1-3-6-10/h1-8,19H,9H2/b20-14+
InChIKeySPPGEAMDTWOCQZ-XSFVSMFZSA-N
MW357.62 g/mol
LogP4.70
Rot. Bonds5

About benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate

benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate (PubChem CID 44891149) has the molecular formula C15H11Cl3N2O2 and a molecular weight of 357.62 g/mol. Its IUPAC name is benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namebenzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
PubChem CID44891149
Molecular FormulaC15H11Cl3N2O2
Molecular Weight357.62 g/mol
Exact Mass355.99
IUPAC Namebenzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate
SMILESO=C(OCc1ccccc1)/C(Cl)=N\Nc1c(Cl)cccc1Cl
InChIInChI=1S/C15H11Cl3N2O2/c16-11-7-4-8-12(17)13(11)19-20-14(18)15(21)22-9-10-5-2-1-3-6-10/h1-8,19H,9H2/b20-14+
InChIKeySPPGEAMDTWOCQZ-XSFVSMFZSA-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 (2Z)-2-chloro-2-[(3,5-dichlorophenyl)hydrazinylidene]acetate
CID 98118001
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766
benzyl 2-chloro-2-oxoacetate
CID 11019858
benzyl carbonochloridate
CID 10387
benzyl 2-methylprop-2-enoate;hydrofluoride
CID 161313656
benzyl 2-[4-(2,6-dichloroanilino)thiophen-3-yl]acetate
CID 57287670
benzyl 2-methyl(113C)prop-2-enoate;benzyl 2-oxo(113C)propanoate
CID 161249019
benzyl 2-methylprop-2-enoate;butane
CID 174907722
dimethyl 2-[4-[1,3-dioxo-1,3-bis(phenylmethoxy)propan-2-ylidene]cyclohexa-2,5-dien-1-ylidene]propanedioate
CID 101114631
methyl 3-(2-chlorophenyl)-3-phenylmethoxycarbonyliminopropanoate
CID 91318831
benzyl (E)-3-[[amino(chloro)methylidene]amino]-2-methylprop-2-enoate
CID 146259484
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266

Frequently Asked Questions

What is the IUPAC name of benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate?
The IUPAC name of benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate (CID 44891149) is benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate is O=C(OCc1ccccc1)/C(Cl)=N\Nc1c(Cl)cccc1Cl.
What is the InChIKey of benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate?
The InChIKey is SPPGEAMDTWOCQZ-XSFVSMFZSA-N. The full InChI is InChI=1S/C15H11Cl3N2O2/c16-11-7-4-8-12(17)13(11)19-20-14(18)15(21)22-9-10-5-2-1-3-6-10/h1-8,19H,9H2/b20-14+.
What are the key properties of benzyl (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate?
benzyl (2E)-2-chloro-2-[(2,6-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 (2E)-2-chloro-2-[(2,6-dichlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 44891149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).