2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate

C16H13Cl2N2O4- — CID 7323628

IUPAC2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1OC
InChIInChI=1S/C16H14Cl2N2O4/c1-23-14-6-9(5-13(18)15(14)24-2)8-19-20-10-3-4-12(17)11(7-10)16(21)22/h3-8,20H,1-2H3,(H,21,22)/p-1
InChIKeyXQBBTYCKDXTERC-UHFFFAOYSA-M
MW368.20 g/mol
LogP2.82
Rot. Bonds6

About 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate

2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7323628) has the molecular formula C16H13Cl2N2O4- and a molecular weight of 368.20 g/mol. Its IUPAC name is 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7323628
Molecular FormulaC16H13Cl2N2O4-
Molecular Weight368.20 g/mol
Exact Mass367.03
IUPAC Name2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1OC
InChIInChI=1S/C16H14Cl2N2O4/c1-23-14-6-9(5-13(18)15(14)24-2)8-19-20-10-3-4-12(17)11(7-10)16(21)22/h3-8,20H,1-2H3,(H,21,22)/p-1
InChIKeyXQBBTYCKDXTERC-UHFFFAOYSA-M
XLogP2.82
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

4-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 84901065
2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7415273
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N'-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]oxamide
CID 21214231
2-chloro-N-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 9016258
4-[(2Z)-2-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]hydrazinyl]benzoate
CID 9012927
2-[2-chloro-6-methoxy-4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
CID 126270328
4-[(2Z)-2-[(3-chloro-5-methoxy-4-propan-2-yloxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 9013031
4-chloro-3-[(2Z)-2-[[4-(difluoromethoxy)-3,5-dimethoxyphenyl]methylidene]hydrazinyl]benzoate
CID 8974239
N-[(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzamide
CID 900213
N'-[(Z)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]-N-(4-methylphenyl)oxamide
CID 8900582
2-chloro-4-[[(3-chloro-4-methylphenyl)hydrazinylidene]methyl]-6-methoxyphenol
CID 136704824

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7323628) is 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate is COc1cc(C=NNc2ccc(Cl)c(C(=O)[O-])c2)cc(Cl)c1OC.
What is the InChIKey of 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is XQBBTYCKDXTERC-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H14Cl2N2O4/c1-23-14-6-9(5-13(18)15(14)24-2)8-19-20-10-3-4-12(17)11(7-10)16(21)22/h3-8,20H,1-2H3,(H,21,22)/p-1.
What are the key properties of 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 368.20 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7323628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).