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

C16H14ClN2O4- — CID 7416481

IUPAC2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1cccc(/C=N\Nc2ccc(Cl)c(C(=O)[O-])c2)c1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-14-5-3-4-10(15(14)23-2)9-18-19-11-6-7-13(17)12(8-11)16(20)21/h3-9,19H,1-2H3,(H,20,21)/p-1/b18-9-
InChIKeyRORUDSVPDXWBQL-NVMNQCDNSA-M
MW333.75 g/mol
LogP2.17
Rot. Bonds6

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

2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7416481) has the molecular formula C16H14ClN2O4- and a molecular weight of 333.75 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7416481
Molecular FormulaC16H14ClN2O4-
Molecular Weight333.75 g/mol
Exact Mass333.06
IUPAC Name2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1cccc(/C=N\Nc2ccc(Cl)c(C(=O)[O-])c2)c1OC
InChIInChI=1S/C16H15ClN2O4/c1-22-14-5-3-4-10(15(14)23-2)9-18-19-11-6-7-13(17)12(8-11)16(20)21/h3-9,19H,1-2H3,(H,20,21)/p-1/b18-9-
InChIKeyRORUDSVPDXWBQL-NVMNQCDNSA-M
XLogP2.17
TPSA82.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.75
LogP ≤ 52.17
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

2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7323628
3-[(2Z)-2-[(2,3,4-trimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7066821
2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7415273
N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]-4-fluoroaniline
CID 9076349
2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate
CID 7415317
3,4-dichloro-N-[(Z)-(2-methoxyphenyl)methylideneamino]aniline
CID 7979466
2-[2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 5136185
1-(4-chlorophenyl)-3-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]urea
CID 110536875
3,4-dichloro-N-[[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840470
3,4-dichloro-N-[[2-[(3-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]aniline
CID 110840474
5-[(2E)-2-[[2-(carboxymethoxy)-3-ethoxyphenyl]methylidene]hydrazinyl]-2-chlorobenzoic acid
CID 126218575
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7416481) is 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate is COc1cccc(/C=N\Nc2ccc(Cl)c(C(=O)[O-])c2)c1OC.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is RORUDSVPDXWBQL-NVMNQCDNSA-M. The full InChI is InChI=1S/C16H15ClN2O4/c1-22-14-5-3-4-10(15(14)23-2)9-18-19-11-6-7-13(17)12(8-11)16(20)21/h3-9,19H,1-2H3,(H,20,21)/p-1/b18-9-.
What are the key properties of 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate?
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 333.75 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7416481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).