[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate

C30H23Cl2N3O5 — CID 126228069

IUPAC[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
SMILESCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cccc(C)c1
InChIInChI=1S/C30H23Cl2N3O5/c1-18-5-3-7-21(13-18)30(38)40-26-12-9-19(14-27(26)39-2)17-33-35-28(36)20-6-4-8-23(15-20)34-29(37)24-11-10-22(31)16-25(24)32/h3-17H,1-2H3,(H,34,37)(H,35,36)
InChIKeyBFUUAKLQMIVQBB-UHFFFAOYSA-N
MW576.44 g/mol
LogP6.55
Rot. Bonds8

About [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate

[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate (PubChem CID 126228069) has the molecular formula C30H23Cl2N3O5 and a molecular weight of 576.44 g/mol. Its IUPAC name is [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate.

Molecular Properties

Compound Name[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
PubChem CID126228069
Molecular FormulaC30H23Cl2N3O5
Molecular Weight576.44 g/mol
Exact Mass575.10
IUPAC Name[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate
SMILESCOc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cccc(C)c1
InChIInChI=1S/C30H23Cl2N3O5/c1-18-5-3-7-21(13-18)30(38)40-26-12-9-19(14-27(26)39-2)17-33-35-28(36)20-6-4-8-23(15-20)34-29(37)24-11-10-22(31)16-25(24)32/h3-17H,1-2H3,(H,34,37)(H,35,36)
InChIKeyBFUUAKLQMIVQBB-UHFFFAOYSA-N
XLogP6.55
TPSA106.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.44
LogP ≤ 56.55
H-Bond Donors ≤ 52
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate with MolForge

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Related Compounds

[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methylbenzoate
CID 126229300
[2-methoxy-4-[[[3-[(4-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126228656
[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-nitrobenzoate
CID 126233458
[4-[[[3-[(2-chlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 126225553
[4-[[[3-[(5-chloro-2-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-chlorobenzoate
CID 126226654
[4-[[[3-[(5-chloro-2-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 4-methoxybenzoate
CID 126226351
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] 3-bromobenzoate
CID 45054566
[2-methoxy-4-[[(3-methylbenzoyl)hydrazinylidene]methyl]phenyl] 3,4-dichlorobenzoate
CID 4243627
[4-[(E)-[(2,4-dichlorobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] benzoate
CID 110341009
[2-methoxy-4-[[(3-methoxybenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3516860
[2-[[[3-[(3-methylbenzoyl)amino]benzoyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126233219
[4-[[[3-[(5-chloro-2-methoxybenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] (E)-3-(4-chlorophenyl)prop-2-enoate
CID 126225417

Frequently Asked Questions

What is the IUPAC name of [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate?
The IUPAC name of [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate (CID 126228069) is [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate.
What is the SMILES notation for [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate?
The canonical SMILES for [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate is COc1cc(C=NNC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)ccc1OC(=O)c1cccc(C)c1.
What is the InChIKey of [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate?
The InChIKey is BFUUAKLQMIVQBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23Cl2N3O5/c1-18-5-3-7-21(13-18)30(38)40-26-12-9-19(14-27(26)39-2)17-33-35-28(36)20-6-4-8-23(15-20)34-29(37)24-11-10-22(31)16-25(24)32/h3-17H,1-2H3,(H,34,37)(H,35,36).
What are the key properties of [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate?
[4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate has a molecular weight of 576.44 g/mol, XLogP of 6.55, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[3-[(2,4-dichlorobenzoyl)amino]benzoyl]hydrazinylidene]methyl]-2-methoxyphenyl] 3-methylbenzoate is sourced from PubChem (CID 126228069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).