[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

C28H26Cl2N2O3 — CID 3112310

IUPAC[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCC(C)(C)c1ccc(C2CC2C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C28H26Cl2N2O3/c1-28(2,3)19-8-6-18(7-9-19)23-15-24(23)26(33)32-31-16-17-4-11-21(12-5-17)35-27(34)22-13-10-20(29)14-25(22)30/h4-14,16,23-24H,15H2,1-3H3,(H,32,33)
InChIKeyCJOYDLIVWDNREM-UHFFFAOYSA-N
MW509.43 g/mol
LogP6.76
Rot. Bonds6

About [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (PubChem CID 3112310) has the molecular formula C28H26Cl2N2O3 and a molecular weight of 509.43 g/mol. Its IUPAC name is [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.

Molecular Properties

Compound Name[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
PubChem CID3112310
Molecular FormulaC28H26Cl2N2O3
Molecular Weight509.43 g/mol
Exact Mass508.13
IUPAC Name[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
SMILESCC(C)(C)c1ccc(C2CC2C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1
InChIInChI=1S/C28H26Cl2N2O3/c1-28(2,3)19-8-6-18(7-9-19)23-15-24(23)26(33)32-31-16-17-4-11-21(12-5-17)35-27(34)22-13-10-20(29)14-25(22)30/h4-14,16,23-24H,15H2,1-3H3,(H,32,33)
InChIKeyCJOYDLIVWDNREM-UHFFFAOYSA-N
XLogP6.76
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.43
LogP ≤ 56.76
H-Bond Donors ≤ 51
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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

cis-(1R,2S)-2-(4-tert-butylphenyl)-N-[(Z)-(4-methylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51418117
[4-[[(2-methylpropan-2-yl)oxycarbonylhydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3555201
trans-(1S,2S)-2-(4-tert-butylphenyl)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 51664900
[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 3-methyl-4-nitrobenzoate
CID 4204674
4-[(Z)-[[(1S,2R)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]benzoic acid
CID 7334331
2-(4-chlorophenyl)-N-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]cyclopropane-1-carboxamide
CID 16719292
2-(4-tert-butylphenyl)-N-[(Z)-(3,4-dihydroxyphenyl)methylideneamino]cyclopropane-1-carboxamide
CID 135647151
[4-[(Z)-[(2-hydroxy-2,2-diphenylacetyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 41271342
[4-[[(2-oxo-4-phenylpyrrolidine-3-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 3117400
4-[[[(1R,2S)-2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]benzoate
CID 7259971
[4-[[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 5185562
[4-[(benzoylhydrazinylidene)methyl]phenyl] 2,4-dichlorobenzoate
CID 3422845

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The IUPAC name of [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate (CID 3112310) is [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate.
What is the SMILES notation for [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The canonical SMILES for [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is CC(C)(C)c1ccc(C2CC2C(=O)NN=Cc2ccc(OC(=O)c3ccc(Cl)cc3Cl)cc2)cc1.
What is the InChIKey of [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
The InChIKey is CJOYDLIVWDNREM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26Cl2N2O3/c1-28(2,3)19-8-6-18(7-9-19)23-15-24(23)26(33)32-31-16-17-4-11-21(12-5-17)35-27(34)22-13-10-20(29)14-25(22)30/h4-14,16,23-24H,15H2,1-3H3,(H,32,33).
What are the key properties of [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate?
[4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate has a molecular weight of 509.43 g/mol, XLogP of 6.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[[2-(4-tert-butylphenyl)cyclopropanecarbonyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is sourced from PubChem (CID 3112310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).