4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide

C14H14BrN3O3 — CID 24532941

IUPAC4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C14H14BrN3O3/c1-18-8-10(15)7-12(18)14(20)17-16-13(19)9-21-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyBZYUFSIXQWLGLG-UHFFFAOYSA-N
MW352.19 g/mol
LogP1.63
Rot. Bonds4

About 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide

4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide (PubChem CID 24532941) has the molecular formula C14H14BrN3O3 and a molecular weight of 352.19 g/mol. Its IUPAC name is 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
PubChem CID24532941
Molecular FormulaC14H14BrN3O3
Molecular Weight352.19 g/mol
Exact Mass351.02
IUPAC Name4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
SMILESCn1cc(Br)cc1C(=O)NNC(=O)COc1ccccc1
InChIInChI=1S/C14H14BrN3O3/c1-18-8-10(15)7-12(18)14(20)17-16-13(19)9-21-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19)(H,17,20)
InChIKeyBZYUFSIXQWLGLG-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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Related Compounds

4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 27036889
4-bromo-1-methyl-N-(3-phenoxypropyl)pyrrole-2-carboxamide
CID 60698861
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037306
4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24532949
4-bromo-1-methyl-N'-(2-thiophen-2-ylacetyl)pyrrole-2-carbohydrazide
CID 27021573
N-[4-(2-amino-2-oxoethoxy)phenyl]-4-bromo-1-methylpyrrole-2-carboxamide
CID 60956273
4-bromo-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
N'-[2-(4-bromophenoxy)acetyl]-4,5-dichloro-1-methylpyrrole-2-carbohydrazide
CID 78860966
N'-(2-phenoxyacetyl)propanehydrazide
CID 4508940
4-bromo-N'-(4-fluorobenzoyl)-1-methylpyrrole-2-carbohydrazide
CID 27036737
4-bromo-1-methyl-N'-[2-(3-methylbutylsulfanyl)acetyl]pyrrole-2-carbohydrazide
CID 47384629
1-methyl-N'-[2-(4-phenoxyphenoxy)acetyl]indole-3-carbohydrazide
CID 25468814

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide (CID 24532941) is 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide is Cn1cc(Br)cc1C(=O)NNC(=O)COc1ccccc1.
What is the InChIKey of 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide?
The InChIKey is BZYUFSIXQWLGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O3/c1-18-8-10(15)7-12(18)14(20)17-16-13(19)9-21-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,16,19)(H,17,20).
What are the key properties of 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide?
4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-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 4-bromo-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide is sourced from PubChem (CID 24532941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).