5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide

C18H16BrN3O3 — CID 17094435

IUPAC5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
SMILESCOc1ccc(Br)cc1C(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C18H16BrN3O3/c1-25-16-7-6-13(19)10-14(16)18(24)21-20-17(23)11-22-9-8-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyFBSVAGUYEQFJLU-UHFFFAOYSA-N
MW402.25 g/mol
LogP2.87
Rot. Bonds4

About 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide

5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide (PubChem CID 17094435) has the molecular formula C18H16BrN3O3 and a molecular weight of 402.25 g/mol. Its IUPAC name is 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide.

Molecular Properties

Compound Name5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
PubChem CID17094435
Molecular FormulaC18H16BrN3O3
Molecular Weight402.25 g/mol
Exact Mass401.04
IUPAC Name5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
SMILESCOc1ccc(Br)cc1C(=O)NNC(=O)Cn1ccc2ccccc21
InChIInChI=1S/C18H16BrN3O3/c1-25-16-7-6-13(19)10-14(16)18(24)21-20-17(23)11-22-9-8-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H,20,23)(H,21,24)
InChIKeyFBSVAGUYEQFJLU-UHFFFAOYSA-N
XLogP2.87
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.25
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-methoxybenzamide
CID 17094705
5-bromo-N'-(2-indol-1-ylacetyl)-2-propoxybenzohydrazide
CID 17080388
N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
CID 17080278
5-bromo-N-[[(2-indol-1-ylacetyl)amino]carbamothioyl]-2-(2-methylpropoxy)benzamide
CID 17080503
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080403
2-ethoxy-N'-(2-indol-1-ylacetyl)benzohydrazide
CID 17080340
5-bromo-2-methoxy-N'-(2-naphthalen-2-yloxyacetyl)benzohydrazide
CID 17094356
2-[[(2-indol-1-ylacetyl)amino]carbamoyl]benzoic acid
CID 17080252
3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide
CID 17080383
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
N'-(2-indol-1-ylacetyl)-2-(4-methoxyphenoxy)propanehydrazide
CID 17080332
2-(5-bromoindol-1-yl)-N-(3,4-dimethoxyphenyl)acetamide
CID 42537123

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide?
The IUPAC name of 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide (CID 17094435) is 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide.
What is the SMILES notation for 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide?
The canonical SMILES for 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide is COc1ccc(Br)cc1C(=O)NNC(=O)Cn1ccc2ccccc21.
What is the InChIKey of 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide?
The InChIKey is FBSVAGUYEQFJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN3O3/c1-25-16-7-6-13(19)10-14(16)18(24)21-20-17(23)11-22-9-8-12-4-2-3-5-15(12)22/h2-10H,11H2,1H3,(H,20,23)(H,21,24).
What are the key properties of 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide?
5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide has a molecular weight of 402.25 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide is sourced from PubChem (CID 17094435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).