6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate

C17H14ClN2O5- — CID 4519390

IUPAC6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1OC
InChIInChI=1S/C17H15ClN2O5/c1-24-13-8-5-11(14(17(22)23)15(13)25-2)9-19-20-16(21)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,20,21)(H,22,23)/p-1
InChIKeyYBKSJLADYXHXJS-UHFFFAOYSA-M
MW361.76 g/mol
LogP1.48
Rot. Bonds6

About 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate

6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate (PubChem CID 4519390) has the molecular formula C17H14ClN2O5- and a molecular weight of 361.76 g/mol. Its IUPAC name is 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate.

Molecular Properties

Compound Name6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
PubChem CID4519390
Molecular FormulaC17H14ClN2O5-
Molecular Weight361.76 g/mol
Exact Mass361.06
IUPAC Name6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate
SMILESCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1OC
InChIInChI=1S/C17H15ClN2O5/c1-24-13-8-5-11(14(17(22)23)15(13)25-2)9-19-20-16(21)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,20,21)(H,22,23)/p-1
InChIKeyYBKSJLADYXHXJS-UHFFFAOYSA-M
XLogP1.48
TPSA100.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.76
LogP ≤ 51.48
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-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
4-chloro-N-[(Z)-(2,3-dimethoxyphenyl)methylideneamino]benzamide
CID 5425927
4-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenolate
CID 54724958
6-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoate
CID 8979033
4-chloro-N-[(4-hydroxy-2-methoxyphenyl)methylideneamino]benzamide
CID 691020
6-[(E)-[[4-[(4-fluorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
CID 86809619
2,3-dimethoxy-6-[(Z)-(2-methoxyethylcarbamothioylhydrazinylidene)methyl]benzoate
CID 8978984
3-[[(Z)-(2-carboxy-3,4-dimethoxyphenyl)methylideneamino]carbamoyl]phenolate
CID 54717649
N-[(Z)-(2-bromo-4,5-dimethoxyphenyl)methylideneamino]-4-chlorobenzamide
CID 5430724
4-chloro-N-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]benzamide
CID 899702
2,3-dimethoxy-6-[(Z)-[(4-propan-2-ylphenyl)carbamothioylhydrazinylidene]methyl]benzoate
CID 8979058
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 6910490

Frequently Asked Questions

What is the IUPAC name of 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The IUPAC name of 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate (CID 4519390) is 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate.
What is the SMILES notation for 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The canonical SMILES for 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate is COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)c(C(=O)[O-])c1OC.
What is the InChIKey of 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
The InChIKey is YBKSJLADYXHXJS-UHFFFAOYSA-M. The full InChI is InChI=1S/C17H15ClN2O5/c1-24-13-8-5-11(14(17(22)23)15(13)25-2)9-19-20-16(21)10-3-6-12(18)7-4-10/h3-9H,1-2H3,(H,20,21)(H,22,23)/p-1.
What are the key properties of 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate?
6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate has a molecular weight of 361.76 g/mol, XLogP of 1.48, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(4-chlorobenzoyl)hydrazinylidene]methyl]-2,3-dimethoxybenzoate is sourced from PubChem (CID 4519390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).