1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate

C17H23Cl3N4O2 — CID 172920449

IUPAC1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESC.C.COC(=O)/C=N/Nc1ccc(Cl)cc1.ClNNc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2.C6H6Cl2N2.2CH4/c1-14-9(13)6-11-12-8-4-2-7(10)3-5-8;7-5-1-3-6(4-2-5)9-10-8;;/h2-6,12H,1H3;1-4,9-10H;2*1H4/b11-6+;;;
InChIKeyXWPDDZQEVWVDAY-RZWKJUAESA-N
MW421.76 g/mol
LogP5.59
Rot. Bonds5

About 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate

1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate (PubChem CID 172920449) has the molecular formula C17H23Cl3N4O2 and a molecular weight of 421.76 g/mol. Its IUPAC name is 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate.

Molecular Properties

Compound Name1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate
PubChem CID172920449
Molecular FormulaC17H23Cl3N4O2
Molecular Weight421.76 g/mol
Exact Mass420.09
IUPAC Name1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate
SMILESC.C.COC(=O)/C=N/Nc1ccc(Cl)cc1.ClNNc1ccc(Cl)cc1
InChIInChI=1S/C9H9ClN2O2.C6H6Cl2N2.2CH4/c1-14-9(13)6-11-12-8-4-2-7(10)3-5-8;7-5-1-3-6(4-2-5)9-10-8;;/h2-6,12H,1H3;1-4,9-10H;2*1H4/b11-6+;;;
InChIKeyXWPDDZQEVWVDAY-RZWKJUAESA-N
XLogP5.59
TPSA74.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.76
LogP ≤ 55.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methyl (2Z)-2-[(2-chlorophenyl)hydrazinylidene]acetate
CID 86760180
3-chloro-4-[(4-chlorophenyl)hydrazinylidene]-2-(4-methoxyphenoxy)but-2-enoic acid
CID 3807498
dimethyl 2-(4-chloroanilino)but-2-enedioate
CID 2799108
N'-(4-chloroanilino)-N-oxomethanimidamide
CID 177383654
ethane;ethyl (2E)-2-(phenylhydrazinylidene)acetate
CID 90967313
3-[(4-chlorophenyl)hydrazinylidene]butan-2-one
CID 4562553
2-(4-chloroanilino)-N-(2-methoxyethyl)acetamide
CID 39347241
methyl (2S)-2-(4-chloroanilino)propanoate
CID 18442844
4-chloro-N-methoxyaniline
CID 10397071
(2Z,3Z)-1-(4-chlorophenyl)-3-methoxyimino-2-[(4-methylphenyl)hydrazinylidene]propan-1-one
CID 40530098
methyl (Z)-3-(4-chlorophenyl)-4-dimethoxyphosphorylbut-2-enoate
CID 50907879
2-[(E)-[(4-chlorophenyl)hydrazinylidene]methyl]sulfanylacetic acid
CID 13169844

Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The IUPAC name of 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate (CID 172920449) is 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate.
What is the SMILES notation for 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The canonical SMILES for 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate is C.C.COC(=O)/C=N/Nc1ccc(Cl)cc1.ClNNc1ccc(Cl)cc1.
What is the InChIKey of 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
The InChIKey is XWPDDZQEVWVDAY-RZWKJUAESA-N. The full InChI is InChI=1S/C9H9ClN2O2.C6H6Cl2N2.2CH4/c1-14-9(13)6-11-12-8-4-2-7(10)3-5-8;7-5-1-3-6(4-2-5)9-10-8;;/h2-6,12H,1H3;1-4,9-10H;2*1H4/b11-6+;;;.
What are the key properties of 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate?
1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate has a molecular weight of 421.76 g/mol, XLogP of 5.59, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(4-chlorophenyl)hydrazine;methane;methyl (2E)-2-[(4-chlorophenyl)hydrazinylidene]acetate is sourced from PubChem (CID 172920449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).