[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate

C24H29BrN2O3 — CID 6380374

IUPAC[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
SMILESCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H29BrN2O3/c1-2-3-4-5-6-7-8-9-23(28)27-26-18-19-10-16-22(17-11-19)30-24(29)20-12-14-21(25)15-13-20/h10-18H,2-9H2,1H3,(H,27,28)/b26-18-
InChIKeyNNWHBGGNSDLQOG-ITYLOYPMSA-N
MW473.41 g/mol
LogP6.26
Rot. Bonds12

About [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate

[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate (PubChem CID 6380374) has the molecular formula C24H29BrN2O3 and a molecular weight of 473.41 g/mol. Its IUPAC name is [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate.

Molecular Properties

Compound Name[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
PubChem CID6380374
Molecular FormulaC24H29BrN2O3
Molecular Weight473.41 g/mol
Exact Mass472.14
IUPAC Name[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
SMILESCCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H29BrN2O3/c1-2-3-4-5-6-7-8-9-23(28)27-26-18-19-10-16-22(17-11-19)30-24(29)20-12-14-21(25)15-13-20/h10-18H,2-9H2,1H3,(H,27,28)/b26-18-
InChIKeyNNWHBGGNSDLQOG-ITYLOYPMSA-N
XLogP6.26
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.41
LogP ≤ 56.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate with MolForge

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Related Compounds

[4-[(Z)-(hexadecanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 98296299
[4-[(pentanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate
CID 171132245
[4-[(Z)-[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 6181750
[4-[(hexadecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 75609861
[4-[(dodecanoylhydrazinylidene)methyl]phenyl] 4-chlorobenzoate
CID 3458071
[4-[(Z)-(octadecanoylhydrazinylidene)methyl]phenyl] benzoate
CID 98298326
[4-[(heptanoylhydrazinylidene)methyl]phenyl] benzoate
CID 3690699
[4-[(octadecanoylhydrazinylidene)methyl]phenyl] 3-bromobenzoate
CID 75609936
methyl 4-[(Z)-(hexadecanoylhydrazinylidene)methyl]benzoate
CID 98298248
[4-[(Z)-[[2-(tetradecanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 6382457
N-[(E)-[4-[(4-bromophenyl)methoxy]phenyl]methylideneamino]octanamide
CID 90643317
[4-[[[2-(decanoylamino)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 4056292

Frequently Asked Questions

What is the IUPAC name of [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate?
The IUPAC name of [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate (CID 6380374) is [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate.
What is the SMILES notation for [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate?
The canonical SMILES for [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate is CCCCCCCCCC(=O)N/N=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate?
The InChIKey is NNWHBGGNSDLQOG-ITYLOYPMSA-N. The full InChI is InChI=1S/C24H29BrN2O3/c1-2-3-4-5-6-7-8-9-23(28)27-26-18-19-10-16-22(17-11-19)30-24(29)20-12-14-21(25)15-13-20/h10-18H,2-9H2,1H3,(H,27,28)/b26-18-.
What are the key properties of [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate?
[4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate has a molecular weight of 473.41 g/mol, XLogP of 6.26, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(Z)-(decanoylhydrazinylidene)methyl]phenyl] 4-bromobenzoate is sourced from PubChem (CID 6380374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).