[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

C19H12Cl2N2O3S — CID 6083944

IUPAC[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1
InChIInChI=1S/C19H12Cl2N2O3S/c20-13-5-8-15(16(21)10-13)18(24)23-22-11-12-3-6-14(7-4-12)26-19(25)17-2-1-9-27-17/h1-11H,(H,23,24)/b22-11-
InChIKeyBQROBGCSPYBVQB-JJFYIABZSA-N
MW419.29 g/mol
LogP5.04
Rot. Bonds5

About [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate

[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate (PubChem CID 6083944) has the molecular formula C19H12Cl2N2O3S and a molecular weight of 419.29 g/mol. Its IUPAC name is [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate.

Molecular Properties

Compound Name[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
PubChem CID6083944
Molecular FormulaC19H12Cl2N2O3S
Molecular Weight419.29 g/mol
Exact Mass417.99
IUPAC Name[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
SMILESO=C(Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1
InChIInChI=1S/C19H12Cl2N2O3S/c20-13-5-8-15(16(21)10-13)18(24)23-22-11-12-3-6-14(7-4-12)26-19(25)17-2-1-9-27-17/h1-11H,(H,23,24)/b22-11-
InChIKeyBQROBGCSPYBVQB-JJFYIABZSA-N
XLogP5.04
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.29
LogP ≤ 55.04
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-[(Z)-[(2-chlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110509291
[4-[[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 4077360
[3-[(Z)-[(2-chloro-4-methylbenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 7369655
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 45054774
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845
[4-[(Z)-[(2-bromobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6123495
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486
[4-[(pyridine-2-carbonylhydrazinylidene)methyl]phenyl] thiophene-2-carboxylate
CID 1356844
[4-[(thiophene-2-carbonylhydrazinylidene)methyl]phenyl] 2-fluorobenzoate
CID 3639611
[4-[(E)-[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate
CID 110506028
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
methyl 4-[[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]benzoate
CID 3281330

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate?
The IUPAC name of [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate (CID 6083944) is [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate.
What is the SMILES notation for [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate?
The canonical SMILES for [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is O=C(Oc1ccc(/C=N\NC(=O)c2ccc(Cl)cc2Cl)cc1)c1cccs1.
What is the InChIKey of [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate?
The InChIKey is BQROBGCSPYBVQB-JJFYIABZSA-N. The full InChI is InChI=1S/C19H12Cl2N2O3S/c20-13-5-8-15(16(21)10-13)18(24)23-22-11-12-3-6-14(7-4-12)26-19(25)17-2-1-9-27-17/h1-11H,(H,23,24)/b22-11-.
What are the key properties of [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate?
[4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate has a molecular weight of 419.29 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]phenyl] thiophene-2-carboxylate is sourced from PubChem (CID 6083944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).