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

C16H18BrN3O3 — CID 27036889

IUPAC4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C16H18BrN3O3/c1-3-11-4-6-13(7-5-11)23-10-15(21)18-19-16(22)14-8-12(17)9-20(14)2/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWLNIRCVDNJTNMV-UHFFFAOYSA-N
MW380.24 g/mol
LogP2.19
Rot. Bonds5

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

4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (PubChem CID 27036889) has the molecular formula C16H18BrN3O3 and a molecular weight of 380.24 g/mol. Its IUPAC name is 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
PubChem CID27036889
Molecular FormulaC16H18BrN3O3
Molecular Weight380.24 g/mol
Exact Mass379.05
IUPAC Name4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide
SMILESCCc1ccc(OCC(=O)NNC(=O)c2cc(Br)cn2C)cc1
InChIInChI=1S/C16H18BrN3O3/c1-3-11-4-6-13(7-5-11)23-10-15(21)18-19-16(22)14-8-12(17)9-20(14)2/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22)
InChIKeyWLNIRCVDNJTNMV-UHFFFAOYSA-N
XLogP2.19
TPSA72.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 52.19
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-1-methyl-N'-(2-phenoxyacetyl)pyrrole-2-carbohydrazide
CID 24532941
4-bromo-N'-[2-(4-methoxyphenyl)acetyl]-1-methylpyrrole-2-carbohydrazide
CID 24532949
N'-[2-(4-bromo-3-methylphenoxy)acetyl]-2-(4-ethylphenoxy)acetohydrazide
CID 3376998
4-bromo-N'-[3-(3,5-dimethoxyphenyl)propanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037391
4-bromo-N'-[4-(2-ethoxyphenoxy)butanoyl]-1-methylpyrrole-2-carbohydrazide
CID 27037306
1-N',6-N'-bis[2-(4-ethylphenoxy)acetyl]hexanedihydrazide
CID 3385883
N'-[2-(4-ethylphenoxy)acetyl]-4-(trifluoromethoxy)benzohydrazide
CID 2090675
N'-[2-(4-bromophenoxy)acetyl]-4,5-dichloro-1-methylpyrrole-2-carbohydrazide
CID 78860966
4-bromo-1-methyl-N'-(2-methylbutanoyl)pyrrole-2-carbohydrazide
CID 42938791
N'-[2-(4-ethylphenoxy)acetyl]furan-2-carbohydrazide
CID 2369990
N'-[2-(4-ethylphenoxy)acetyl]-2-(4-methylphenyl)acetohydrazide
CID 9324281
N'-[2-(4-ethylphenoxy)acetyl]-4-(2-phenoxyethoxy)benzohydrazide
CID 4952907

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide (CID 27036889) is 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is CCc1ccc(OCC(=O)NNC(=O)c2cc(Br)cn2C)cc1.
What is the InChIKey of 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
The InChIKey is WLNIRCVDNJTNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O3/c1-3-11-4-6-13(7-5-11)23-10-15(21)18-19-16(22)14-8-12(17)9-20(14)2/h4-9H,3,10H2,1-2H3,(H,18,21)(H,19,22).
What are the key properties of 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide?
4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide has a molecular weight of 380.24 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(4-ethylphenoxy)acetyl]-1-methylpyrrole-2-carbohydrazide is sourced from PubChem (CID 27036889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).