1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide

C16H16Cl2N4O4 — CID 138620035

IUPAC1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide
SMILESCOc1cccc(NNC(=O)C(=O)NNc2cccc(OC)c2Cl)c1Cl
InChIInChI=1S/C16H16Cl2N4O4/c1-25-11-7-3-5-9(13(11)17)19-21-15(23)16(24)22-20-10-6-4-8-12(26-2)14(10)18/h3-8,19-20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyWKCWRZRPHFRWLP-UHFFFAOYSA-N
MW399.23 g/mol
LogP2.60
Rot. Bonds6

About 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide

1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide (PubChem CID 138620035) has the molecular formula C16H16Cl2N4O4 and a molecular weight of 399.23 g/mol. Its IUPAC name is 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide.

Molecular Properties

Compound Name1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide
PubChem CID138620035
Molecular FormulaC16H16Cl2N4O4
Molecular Weight399.23 g/mol
Exact Mass398.05
IUPAC Name1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide
SMILESCOc1cccc(NNC(=O)C(=O)NNc2cccc(OC)c2Cl)c1Cl
InChIInChI=1S/C16H16Cl2N4O4/c1-25-11-7-3-5-9(13(11)17)19-21-15(23)16(24)22-20-10-6-4-8-12(26-2)14(10)18/h3-8,19-20H,1-2H3,(H,21,23)(H,22,24)
InChIKeyWKCWRZRPHFRWLP-UHFFFAOYSA-N
XLogP2.60
TPSA100.72 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.23
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[2-(2-methoxyphenyl)hydrazinyl]-2-oxoacetate
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1-(2-chloro-3-methoxyphenyl)-3-(oxan-4-yl)urea
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2,6-dichloro-N-(2-methoxyphenyl)benzamide
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CID 138619994

Frequently Asked Questions

What is the IUPAC name of 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide?
The IUPAC name of 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide (CID 138620035) is 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide.
What is the SMILES notation for 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide?
The canonical SMILES for 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide is COc1cccc(NNC(=O)C(=O)NNc2cccc(OC)c2Cl)c1Cl.
What is the InChIKey of 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide?
The InChIKey is WKCWRZRPHFRWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O4/c1-25-11-7-3-5-9(13(11)17)19-21-15(23)16(24)22-20-10-6-4-8-12(26-2)14(10)18/h3-8,19-20H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide?
1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide has a molecular weight of 399.23 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',2-N'-bis(2-chloro-3-methoxyphenyl)ethanedihydrazide is sourced from PubChem (CID 138620035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).