[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

C30H22ClN3O3 — CID 126402030

IUPAC[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
SMILESCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12
InChIInChI=1S/C30H22ClN3O3/c1-19-10-9-15-23-26(20-11-3-2-4-12-20)28(33-27(19)23)29(35)34-32-18-21-13-5-8-17-25(21)37-30(36)22-14-6-7-16-24(22)31/h2-18,33H,1H3,(H,34,35)
InChIKeyKJMDYWJKXMCDDE-UHFFFAOYSA-N
MW507.98 g/mol
LogP6.78
Rot. Bonds6

About [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate (PubChem CID 126402030) has the molecular formula C30H22ClN3O3 and a molecular weight of 507.98 g/mol. Its IUPAC name is [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate.

Molecular Properties

Compound Name[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
PubChem CID126402030
Molecular FormulaC30H22ClN3O3
Molecular Weight507.98 g/mol
Exact Mass507.13
IUPAC Name[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
SMILESCc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12
InChIInChI=1S/C30H22ClN3O3/c1-19-10-9-15-23-26(20-11-3-2-4-12-20)28(33-27(19)23)29(35)34-32-18-21-13-5-8-17-25(21)37-30(36)22-14-6-7-16-24(22)31/h2-18,33H,1H3,(H,34,35)
InChIKeyKJMDYWJKXMCDDE-UHFFFAOYSA-N
XLogP6.78
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.98
LogP ≤ 56.78
H-Bond Donors ≤ 52
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'}

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Related Compounds

[2-[[[3-(2-chlorophenyl)-7-methyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126401286
[2-[[(7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126402419
[2-[[(3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126401287
[2-methoxy-4-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402753
[2-[[(7-fluoro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 4-methylbenzoate
CID 126401415
[2-[[(7-cyano-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] benzoate
CID 126399683
[2-[[(5-bromo-7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402032
[2-[[(5-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 126402435
[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate
CID 126399236
[4-bromo-2-[[(5-bromo-7-chloro-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126399295
[2-[[[7-chloro-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126400109
[4-[[(5,7-dimethyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 126403568

Frequently Asked Questions

What is the IUPAC name of [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The IUPAC name of [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate (CID 126402030) is [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate.
What is the SMILES notation for [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The canonical SMILES for [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is Cc1cccc2c(-c3ccccc3)c(C(=O)NN=Cc3ccccc3OC(=O)c3ccccc3Cl)[nH]c12.
What is the InChIKey of [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
The InChIKey is KJMDYWJKXMCDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H22ClN3O3/c1-19-10-9-15-23-26(20-11-3-2-4-12-20)28(33-27(19)23)29(35)34-32-18-21-13-5-8-17-25(21)37-30(36)22-14-6-7-16-24(22)31/h2-18,33H,1H3,(H,34,35).
What are the key properties of [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate?
[2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate has a molecular weight of 507.98 g/mol, XLogP of 6.78, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(7-methyl-3-phenyl-1H-indole-2-carbonyl)hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is sourced from PubChem (CID 126402030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).