1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide

C23H18BrN3O2 — CID 26718991

IUPAC1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
SMILESO=C(NNC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C23H18BrN3O2/c24-20-12-6-4-11-18(20)22(28)25-26-23(29)19-15-27(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2,(H,25,28)(H,26,29)
InChIKeyFSGLXAVQGSOFQI-UHFFFAOYSA-N
MW448.32 g/mol
LogP4.53
Rot. Bonds4

About 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide

1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide (PubChem CID 26718991) has the molecular formula C23H18BrN3O2 and a molecular weight of 448.32 g/mol. Its IUPAC name is 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide.

Molecular Properties

Compound Name1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
PubChem CID26718991
Molecular FormulaC23H18BrN3O2
Molecular Weight448.32 g/mol
Exact Mass447.06
IUPAC Name1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide
SMILESO=C(NNC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Br
InChIInChI=1S/C23H18BrN3O2/c24-20-12-6-4-11-18(20)22(28)25-26-23(29)19-15-27(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2,(H,25,28)(H,26,29)
InChIKeyFSGLXAVQGSOFQI-UHFFFAOYSA-N
XLogP4.53
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.32
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[[1-[(4-bromophenyl)methyl]indole-3-carbonyl]amino]benzoic acid
CID 172864246
1-benzyl-N-propylindole-3-carboxamide
CID 24654500
2-[(1-benzylindole-3-carbonyl)amino]propanediamide
CID 31404077
1-benzyl-N-prop-2-ynylindole-3-carboxamide
CID 32985636
1-benzyl-N-cyclopentylindole-3-carboxamide
CID 26721989
1-[[4-(hydroxycarbamoyl)phenyl]methyl]-N-(2-phenylethyl)indole-3-carboxamide
CID 174999219
1-benzyl-N-(2,3-dimethylphenyl)indole-3-carboxamide
CID 24661406
1-benzyl-N-[2-(4-benzylpiperazin-1-yl)ethyl]indole-3-carboxamide
CID 10623524
1-[(4-bromophenyl)methyl]indole-3-carboxamide
CID 91690104
methyl 1-[(4-bromophenyl)methyl]indole-3-carboxylate
CID 973154
N-[(2R)-1-amino-3,3-dimethyl-1-oxobutan-2-yl]-1-benzylindole-3-carboxamide
CID 129375242
(1-benzylindol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 10735404

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide?
The IUPAC name of 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide (CID 26718991) is 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide.
What is the SMILES notation for 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide?
The canonical SMILES for 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide is O=C(NNC(=O)c1cn(Cc2ccccc2)c2ccccc12)c1ccccc1Br.
What is the InChIKey of 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide?
The InChIKey is FSGLXAVQGSOFQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN3O2/c24-20-12-6-4-11-18(20)22(28)25-26-23(29)19-15-27(14-16-8-2-1-3-9-16)21-13-7-5-10-17(19)21/h1-13,15H,14H2,(H,25,28)(H,26,29).
What are the key properties of 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide?
1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide has a molecular weight of 448.32 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N'-(2-bromobenzoyl)indole-3-carbohydrazide is sourced from PubChem (CID 26718991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).