2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate

C15H12ClN2O3- — CID 7415273

IUPAC2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(/C=N\Nc2ccc(Cl)c(C(=O)[O-])c2)cc1
InChIInChI=1S/C15H13ClN2O3/c1-21-12-5-2-10(3-6-12)9-17-18-11-4-7-14(16)13(8-11)15(19)20/h2-9,18H,1H3,(H,19,20)/p-1/b17-9-
InChIKeyQNQCQTFOMMOWIT-MFOYZWKCSA-M
MW303.73 g/mol
LogP2.16
Rot. Bonds5

About 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate

2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate (PubChem CID 7415273) has the molecular formula C15H12ClN2O3- and a molecular weight of 303.73 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
PubChem CID7415273
Molecular FormulaC15H12ClN2O3-
Molecular Weight303.73 g/mol
Exact Mass303.05
IUPAC Name2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
SMILESCOc1ccc(/C=N\Nc2ccc(Cl)c(C(=O)[O-])c2)cc1
InChIInChI=1S/C15H13ClN2O3/c1-21-12-5-2-10(3-6-12)9-17-18-11-4-7-14(16)13(8-11)15(19)20/h2-9,18H,1H3,(H,19,20)/p-1/b17-9-
InChIKeyQNQCQTFOMMOWIT-MFOYZWKCSA-M
XLogP2.16
TPSA73.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.73
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

3,4-dichloro-N-[(4-methoxyphenyl)methylideneamino]aniline
CID 110840444
2-chloro-5-[2-[(3-chloro-4,5-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7323628
4-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7824518
2-hydroxy-5-[2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 50885253
2-chloro-5-[(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]hydrazinyl]benzoate
CID 7416481
methyl 4-[(Z)-[(3,4-dichlorophenyl)hydrazinylidene]methyl]benzoate
CID 8001515
4-[(E)-[(4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 135510327
N-[(4-methoxyphenyl)methylideneamino]-3-nitroaniline
CID 3290260
4-[(E)-[(3-chloro-4-methoxyphenyl)hydrazinylidene]methyl]phenol
CID 136712094
2-chloro-5-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]benzoate
CID 7415317
2-chloro-5-[(2Z)-2-[[4-(diethylamino)phenyl]methylidene]hydrazinyl]benzoic acid
CID 6013982
N-[(E)-(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-4-methoxyaniline
CID 110509009

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The IUPAC name of 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate (CID 7415273) is 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The canonical SMILES for 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate is COc1ccc(/C=N\Nc2ccc(Cl)c(C(=O)[O-])c2)cc1.
What is the InChIKey of 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
The InChIKey is QNQCQTFOMMOWIT-MFOYZWKCSA-M. The full InChI is InChI=1S/C15H13ClN2O3/c1-21-12-5-2-10(3-6-12)9-17-18-11-4-7-14(16)13(8-11)15(19)20/h2-9,18H,1H3,(H,19,20)/p-1/b17-9-.
What are the key properties of 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate?
2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate has a molecular weight of 303.73 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-[(4-methoxyphenyl)methylidene]hydrazinyl]benzoate is sourced from PubChem (CID 7415273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).