propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate

C11H12Cl2N2O2 — CID 76845780

IUPACpropan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCC(C)OC(=O)/C(Cl)=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2N2O2/c1-7(2)17-11(16)10(13)15-14-9-5-3-8(12)4-6-9/h3-7,14H,1-2H3/b15-10-
InChIKeyFHZSNRPPCJTSFR-GDNBJRDFSA-N
MW275.14 g/mol
LogP3.26
Rot. Bonds4

About propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate

propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate (PubChem CID 76845780) has the molecular formula C11H12Cl2N2O2 and a molecular weight of 275.14 g/mol. Its IUPAC name is propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Namepropan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
PubChem CID76845780
Molecular FormulaC11H12Cl2N2O2
Molecular Weight275.14 g/mol
Exact Mass274.03
IUPAC Namepropan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESCC(C)OC(=O)/C(Cl)=N/Nc1ccc(Cl)cc1
InChIInChI=1S/C11H12Cl2N2O2/c1-7(2)17-11(16)10(13)15-14-9-5-3-8(12)4-6-9/h3-7,14H,1-2H3/b15-10-
InChIKeyFHZSNRPPCJTSFR-GDNBJRDFSA-N
XLogP3.26
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 53.26
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

(1Z)-2-(4-chloroanilino)-N-(4-chlorophenyl)-2-oxoethanehydrazonoyl chloride
CID 15626985
propan-2-yl N-(4-chlorophenyl)carbamate
CID 16712
N-(4-chlorophenyl)ethanehydrazonoyl chloride
CID 86039764
4-chloro-N-(4-chlorophenyl)-3,3-dimethyl-2-oxobutanehydrazonoyl chloride
CID 140538752
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
N-(4-chlorophenyl)-2-oxo-2-piperidin-1-ylethanehydrazonoyl chloride
CID 76545643
ethyl 2-bromo-2-[(4-chlorophenyl)hydrazinylidene]acetate
CID 71443533
propan-2-yl 2-[(4-chlorophenyl)carbamoylamino]acetate
CID 110191719
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
2-(propan-2-yloxycarbonylamino)ethyl N-(4-chlorophenyl)carbamate
CID 3115307
N-(4-bromophenyl)-2-oxopropanehydrazonoyl chloride
CID 2771519
ethyl 2-[(4-chlorophenyl)hydrazinylidene]-2-phenylacetate
CID 87540078

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate (CID 76845780) is propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate is CC(C)OC(=O)/C(Cl)=N/Nc1ccc(Cl)cc1.
What is the InChIKey of propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is FHZSNRPPCJTSFR-GDNBJRDFSA-N. The full InChI is InChI=1S/C11H12Cl2N2O2/c1-7(2)17-11(16)10(13)15-14-9-5-3-8(12)4-6-9/h3-7,14H,1-2H3/b15-10-.
What are the key properties of propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate?
propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 275.14 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (2Z)-2-chloro-2-[(4-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 76845780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).