4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

C15H16BrN3O4 — CID 31597699

IUPAC4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCOc1cc(C)ccc1OCC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H16BrN3O4/c1-9-3-4-12(13(5-9)22-2)23-8-14(20)18-19-15(21)11-6-10(16)7-17-11/h3-7,17H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCFHPOMVFLLTWNF-UHFFFAOYSA-N
MW382.21 g/mol
LogP1.93
Rot. Bonds5

About 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 31597699) has the molecular formula C15H16BrN3O4 and a molecular weight of 382.21 g/mol. Its IUPAC name is 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID31597699
Molecular FormulaC15H16BrN3O4
Molecular Weight382.21 g/mol
Exact Mass381.03
IUPAC Name4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESCOc1cc(C)ccc1OCC(=O)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C15H16BrN3O4/c1-9-3-4-12(13(5-9)22-2)23-8-14(20)18-19-15(21)11-6-10(16)7-17-11/h3-7,17H,8H2,1-2H3,(H,18,20)(H,19,21)
InChIKeyCFHPOMVFLLTWNF-UHFFFAOYSA-N
XLogP1.93
TPSA92.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.21
LogP ≤ 51.93
H-Bond Donors ≤ 53
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'-(3-methoxy-4-propoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 51217733
4-bromo-N'-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256237
4-bromo-N'-(2-methoxy-5-methylphenyl)sulfonyl-1H-pyrrole-2-carbohydrazide
CID 8823856
4-bromo-N'-(5-fluoro-2-methoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 31116513
N'-(4-bromo-1H-pyrrole-2-carbonyl)-1-(2-methoxy-5-methylphenyl)pyrazole-3-carbohydrazide
CID 48673056
4-bromo-N-(4-ethoxy-3-methoxyphenyl)-1H-pyrrole-2-carboxamide
CID 17459532
4-bromo-N'-[4-(3-methylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256254
4-bromo-N'-(2,4-dimethylbenzoyl)-1H-pyrrole-2-carbohydrazide
CID 34280698
4-bromo-N'-[2-(2,5-dimethylphenyl)sulfanylacetyl]-1H-pyrrole-2-carbohydrazide
CID 9255783
5-bromo-2-methoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 17094394
4-bromo-N'-(3-methylbutanoyl)-1H-pyrrole-2-carbohydrazide
CID 18121265
4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256144

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (CID 31597699) is 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is COc1cc(C)ccc1OCC(=O)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is CFHPOMVFLLTWNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrN3O4/c1-9-3-4-12(13(5-9)22-2)23-8-14(20)18-19-15(21)11-6-10(16)7-17-11/h3-7,17H,8H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 382.21 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 31597699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).