N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide

C13H14BrN3O2 — CID 10782216

IUPACN'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
SMILESCC(Br)C(=O)NNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C13H14BrN3O2/c1-8(14)12(18)15-16-13(19)11-7-9-5-3-4-6-10(9)17(11)2/h3-8H,1-2H3,(H,15,18)(H,16,19)
InChIKeyMEBCDAFJEWAJFV-UHFFFAOYSA-N
MW324.18 g/mol
LogP1.72
Rot. Bonds2

About N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide

N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide (PubChem CID 10782216) has the molecular formula C13H14BrN3O2 and a molecular weight of 324.18 g/mol. Its IUPAC name is N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
PubChem CID10782216
Molecular FormulaC13H14BrN3O2
Molecular Weight324.18 g/mol
Exact Mass323.03
IUPAC NameN'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide
SMILESCC(Br)C(=O)NNC(=O)c1cc2ccccc2n1C
InChIInChI=1S/C13H14BrN3O2/c1-8(14)12(18)15-16-13(19)11-7-9-5-3-4-6-10(9)17(11)2/h3-8H,1-2H3,(H,15,18)(H,16,19)
InChIKeyMEBCDAFJEWAJFV-UHFFFAOYSA-N
XLogP1.72
TPSA63.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.18
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide?
The IUPAC name of N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide (CID 10782216) is N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide.
What is the SMILES notation for N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide?
The canonical SMILES for N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide is CC(Br)C(=O)NNC(=O)c1cc2ccccc2n1C.
What is the InChIKey of N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide?
The InChIKey is MEBCDAFJEWAJFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O2/c1-8(14)12(18)15-16-13(19)11-7-9-5-3-4-6-10(9)17(11)2/h3-8H,1-2H3,(H,15,18)(H,16,19).
What are the key properties of N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide?
N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide has a molecular weight of 324.18 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-bromopropanoyl)-1-methylindole-2-carbohydrazide is sourced from PubChem (CID 10782216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).