[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate

C29H19BrClN3O3 — CID 126399236

IUPAC[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C29H19BrClN3O3/c30-22-14-8-13-21-25(20-12-5-6-15-23(20)31)27(33-26(21)22)28(35)34-32-17-19-11-4-7-16-24(19)37-29(36)18-9-2-1-3-10-18/h1-17,33H,(H,34,35)
InChIKeyDSARSCHJQUSTLA-UHFFFAOYSA-N
MW572.85 g/mol
LogP7.23
Rot. Bonds6

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

[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate (PubChem CID 126399236) has the molecular formula C29H19BrClN3O3 and a molecular weight of 572.85 g/mol. Its IUPAC name is [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate.

Molecular Properties

Compound Name[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate
PubChem CID126399236
Molecular FormulaC29H19BrClN3O3
Molecular Weight572.85 g/mol
Exact Mass571.03
IUPAC Name[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate
SMILESO=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1
InChIInChI=1S/C29H19BrClN3O3/c30-22-14-8-13-21-25(20-12-5-6-15-23(20)31)27(33-26(21)22)28(35)34-32-17-19-11-4-7-16-24(19)37-29(36)18-9-2-1-3-10-18/h1-17,33H,(H,34,35)
InChIKeyDSARSCHJQUSTLA-UHFFFAOYSA-N
XLogP7.23
TPSA83.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500572.85
LogP ≤ 57.23
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'}

Analyze [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate 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

[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
CID 126403036
[2-[[[7-chloro-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126400109
[2-[[[3-(2-chlorophenyl)-7-ethyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126402185
[4-bromo-2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
CID 126400101
[2-[[[3-(2-chlorophenyl)-7-methyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
CID 126401286
[2-[[[3-(2-chlorophenyl)-5,7-dimethyl-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126401628
[2,4-dibromo-6-[[[3-(2-chlorophenyl)-7-iodo-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate
CID 126399789
[2-[[[3-(2-chlorophenyl)-7-methoxy-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 3-(trifluoromethyl)benzoate
CID 126401438
[4-bromo-2-[[[3-(2-chlorophenyl)-7-(trifluoromethyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
CID 126399363
[2-[[[5-chloro-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
CID 126400604
[2,4-dibromo-6-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 3-(trifluoromethyl)benzoate
CID 126401113
[2-[[[3-(2-chlorophenyl)-7-fluoro-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
CID 126401445

Frequently Asked Questions

What is the IUPAC name of [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate?
The IUPAC name of [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate (CID 126399236) is [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate.
What is the SMILES notation for [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate?
The canonical SMILES for [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate is O=C(Oc1ccccc1C=NNC(=O)c1[nH]c2c(Br)cccc2c1-c1ccccc1Cl)c1ccccc1.
What is the InChIKey of [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate?
The InChIKey is DSARSCHJQUSTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H19BrClN3O3/c30-22-14-8-13-21-25(20-12-5-6-15-23(20)31)27(33-26(21)22)28(35)34-32-17-19-11-4-7-16-24(19)37-29(36)18-9-2-1-3-10-18/h1-17,33H,(H,34,35).
What are the key properties of [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate?
[2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate has a molecular weight of 572.85 g/mol, XLogP of 7.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[[7-bromo-3-(2-chlorophenyl)-1H-indole-2-carbonyl]hydrazinylidene]methyl]phenyl] benzoate is sourced from PubChem (CID 126399236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).