(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate

C12H9Cl2N2O4- — CID 7027698

IUPAC(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate
SMILESCOc1cccc(C(=O)N/N=C\C(Cl)=C(/Cl)C(=O)[O-])c1
InChIInChI=1S/C12H10Cl2N2O4/c1-20-8-4-2-3-7(5-8)11(17)16-15-6-9(13)10(14)12(18)19/h2-6H,1H3,(H,16,17)(H,18,19)/p-1/b10-9+,15-6-
InChIKeySQIAHZVUBGOWPU-DDRZNRDPSA-M
MW316.12 g/mol
LogP0.85
Rot. Bonds5

About (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate

(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate (PubChem CID 7027698) has the molecular formula C12H9Cl2N2O4- and a molecular weight of 316.12 g/mol. Its IUPAC name is (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate.

Molecular Properties

Compound Name(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate
PubChem CID7027698
Molecular FormulaC12H9Cl2N2O4-
Molecular Weight316.12 g/mol
Exact Mass314.99
IUPAC Name(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate
SMILESCOc1cccc(C(=O)N/N=C\C(Cl)=C(/Cl)C(=O)[O-])c1
InChIInChI=1S/C12H10Cl2N2O4/c1-20-8-4-2-3-7(5-8)11(17)16-15-6-9(13)10(14)12(18)19/h2-6H,1H3,(H,16,17)(H,18,19)/p-1/b10-9+,15-6-
InChIKeySQIAHZVUBGOWPU-DDRZNRDPSA-M
XLogP0.85
TPSA90.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.12
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2,6-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 4148096
3-methoxy-N-[(2-methoxy-3-phenylprop-2-enylidene)amino]benzamide
CID 3582022
N-(benzylideneamino)-3-methoxybenzamide
CID 3517169
N-(butylideneamino)-3-methoxybenzamide
CID 4229837
N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-3-methoxybenzamide
CID 6026549
N-[(3,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 5069524
N-[(Z)-(3,5-dibromo-2-hydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 137172581
N-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-methoxybenzamide
CID 139078702
3-methoxy-N-[(Z)-[(2R)-2-phenylpropylidene]amino]benzamide
CID 40542957
N-[(Z)-(2-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 137076513
N-[(3,4-dihydroxyphenyl)methylideneamino]-3-methoxybenzamide
CID 4056523
3-methoxy-N-[(Z)-1H-pyrrol-2-ylmethylideneamino]benzamide
CID 137054719

Frequently Asked Questions

What is the IUPAC name of (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate?
The IUPAC name of (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate (CID 7027698) is (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate.
What is the SMILES notation for (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate?
The canonical SMILES for (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate is COc1cccc(C(=O)N/N=C\C(Cl)=C(/Cl)C(=O)[O-])c1.
What is the InChIKey of (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate?
The InChIKey is SQIAHZVUBGOWPU-DDRZNRDPSA-M. The full InChI is InChI=1S/C12H10Cl2N2O4/c1-20-8-4-2-3-7(5-8)11(17)16-15-6-9(13)10(14)12(18)19/h2-6H,1H3,(H,16,17)(H,18,19)/p-1/b10-9+,15-6-.
What are the key properties of (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate?
(E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate has a molecular weight of 316.12 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E,4Z)-2,3-dichloro-4-[(3-methoxybenzoyl)hydrazinylidene]but-2-enoate is sourced from PubChem (CID 7027698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).