N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

C14H14BrN3O3 — CID 24983185

IUPACN'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O3/c1-18-8-2-3-12(18)14(20)17-16-13(19)9-21-11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyRZTDENJJYXGBCO-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.63
Rot. Bonds4

About N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide

N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 24983185) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID24983185
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC NameN'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCn1cccc1C(=O)NNC(=O)COc1ccc(Br)cc1
InChIInChI=1S/C14H14BrN3O3/c1-18-8-2-3-12(18)14(20)17-16-13(19)9-21-11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyRZTDENJJYXGBCO-UHFFFAOYSA-N
XLogP1.63
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.19
LogP ≤ 51.63
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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Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 24983185) is N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is Cn1cccc1C(=O)NNC(=O)COc1ccc(Br)cc1.
What is the InChIKey of N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is RZTDENJJYXGBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-18-8-2-3-12(18)14(20)17-16-13(19)9-21-11-6-4-10(15)5-7-11/h2-8H,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 352.19 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-bromophenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 24983185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).