4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid

C16H15ClN2O3 — CID 8825826

IUPAC4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(Cl)cc1/C(C)=N\Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-10(14-9-12(17)5-8-15(14)22-2)18-19-13-6-3-11(4-7-13)16(20)21/h3-9,19H,1-2H3,(H,20,21)/b18-10-
InChIKeyPTRQQRWKJAKPER-ZDLGFXPLSA-N
MW318.76 g/mol
LogP3.88
Rot. Bonds5

About 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid

4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid (PubChem CID 8825826) has the molecular formula C16H15ClN2O3 and a molecular weight of 318.76 g/mol. Its IUPAC name is 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
PubChem CID8825826
Molecular FormulaC16H15ClN2O3
Molecular Weight318.76 g/mol
Exact Mass318.08
IUPAC Name4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid
SMILESCOc1ccc(Cl)cc1/C(C)=N\Nc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15ClN2O3/c1-10(14-9-12(17)5-8-15(14)22-2)18-19-13-6-3-11(4-7-13)16(20)21/h3-9,19H,1-2H3,(H,20,21)/b18-10-
InChIKeyPTRQQRWKJAKPER-ZDLGFXPLSA-N
XLogP3.88
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.76
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-4-fluoroaniline
CID 8826053
4-[2-[1-(2,4,6-trimethoxyphenyl)ethylidene]hydrazinyl]benzoic acid
CID 4005334
4-[(2Z)-2-[1-(2,5-dimethoxyphenyl)ethylidene]hydrazinyl]benzoate
CID 7734089
2-chloro-5-[(2Z)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 6300123
3-[(2E)-2-[1-(2,5-dichlorophenyl)ethylidene]hydrazinyl]benzoic acid
CID 16555836
2-[(E)-N-(4-carboxyanilino)-C-methylcarbonimidoyl]-4-methylphenolate
CID 135823955
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
N-[1-(4-bromophenyl)ethylideneamino]-5-chloro-2-methoxybenzamide
CID 3698844
3-(2,5-dichlorophenyl)-4-methoxybenzoic acid
CID 54912392

Frequently Asked Questions

What is the IUPAC name of 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The IUPAC name of 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid (CID 8825826) is 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid is COc1ccc(Cl)cc1/C(C)=N\Nc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
The InChIKey is PTRQQRWKJAKPER-ZDLGFXPLSA-N. The full InChI is InChI=1S/C16H15ClN2O3/c1-10(14-9-12(17)5-8-15(14)22-2)18-19-13-6-3-11(4-7-13)16(20)21/h3-9,19H,1-2H3,(H,20,21)/b18-10-.
What are the key properties of 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid?
4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid has a molecular weight of 318.76 g/mol, XLogP of 3.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2Z)-2-[1-(5-chloro-2-methoxyphenyl)ethylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 8825826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).