3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide

C20H20BrN3O3 — CID 17080383

IUPAC3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1Br
InChIInChI=1S/C20H20BrN3O3/c1-2-11-27-18-8-7-15(12-16(18)21)20(26)23-22-19(25)13-24-10-9-14-5-3-4-6-17(14)24/h3-10,12H,2,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyRGPGLKLLODTBBG-UHFFFAOYSA-N
MW430.30 g/mol
LogP3.65
Rot. Bonds6

About 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide

3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide (PubChem CID 17080383) has the molecular formula C20H20BrN3O3 and a molecular weight of 430.30 g/mol. Its IUPAC name is 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide.

Molecular Properties

Compound Name3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide
PubChem CID17080383
Molecular FormulaC20H20BrN3O3
Molecular Weight430.30 g/mol
Exact Mass429.07
IUPAC Name3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide
SMILESCCCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1Br
InChIInChI=1S/C20H20BrN3O3/c1-2-11-27-18-8-7-15(12-16(18)21)20(26)23-22-19(25)13-24-10-9-14-5-3-4-6-17(14)24/h3-10,12H,2,11,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyRGPGLKLLODTBBG-UHFFFAOYSA-N
XLogP3.65
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.30
LogP ≤ 53.65
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)-2-propoxybenzohydrazide
CID 17080388
N'-(2-indol-1-ylacetyl)-3-iodo-4-methoxybenzohydrazide
CID 17080278
5-bromo-N'-(2-indol-1-ylacetyl)-2-methoxybenzohydrazide
CID 17094435
3-bromo-N'-[2-(2-phenylphenoxy)acetyl]-4-propoxybenzohydrazide
CID 17342831
4-ethoxy-N'-(3-indol-1-ylpropanoyl)-3-methoxybenzohydrazide
CID 9151418
3-bromo-4-hexoxy-N'-(2-phenylacetyl)benzohydrazide
CID 4959610
3-bromo-N-naphthalen-1-yl-4-propoxybenzamide
CID 17342647
N'-[2-(4-bromo-2-tert-butylphenoxy)acetyl]-2-indol-1-ylacetohydrazide
CID 17080403
3-bromo-N'-(2-prop-2-enoxybenzoyl)-4-propoxybenzohydrazide
CID 17342922
N'-acetyl-2-indol-1-ylacetohydrazide
CID 4587603
3-bromo-4-butoxy-N'-(2-chlorobenzoyl)benzohydrazide
CID 4955884
3-bromo-N'-(4-methoxybenzoyl)-4-(2-methoxyethoxy)benzohydrazide
CID 17356623

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide?
The IUPAC name of 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide (CID 17080383) is 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide.
What is the SMILES notation for 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide?
The canonical SMILES for 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide is CCCOc1ccc(C(=O)NNC(=O)Cn2ccc3ccccc32)cc1Br.
What is the InChIKey of 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide?
The InChIKey is RGPGLKLLODTBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20BrN3O3/c1-2-11-27-18-8-7-15(12-16(18)21)20(26)23-22-19(25)13-24-10-9-14-5-3-4-6-17(14)24/h3-10,12H,2,11,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide?
3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide has a molecular weight of 430.30 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N'-(2-indol-1-ylacetyl)-4-propoxybenzohydrazide is sourced from PubChem (CID 17080383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).