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

C14H11BrN4O3 — CID 9256144

IUPAC4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C14H11BrN4O3/c15-10-5-12(17-7-10)14(21)19-18-13(20)8-22-11-3-1-9(6-16)2-4-11/h1-5,7,17H,8H2,(H,18,20)(H,19,21)
InChIKeyZYGZJSCLCCAEOB-UHFFFAOYSA-N
MW363.17 g/mol
LogP1.49
Rot. Bonds4

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

4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 9256144) has the molecular formula C14H11BrN4O3 and a molecular weight of 363.17 g/mol. Its IUPAC name is 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
PubChem CID9256144
Molecular FormulaC14H11BrN4O3
Molecular Weight363.17 g/mol
Exact Mass362.00
IUPAC Name4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
SMILESN#Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1
InChIInChI=1S/C14H11BrN4O3/c15-10-5-12(17-7-10)14(21)19-18-13(20)8-22-11-3-1-9(6-16)2-4-11/h1-5,7,17H,8H2,(H,18,20)(H,19,21)
InChIKeyZYGZJSCLCCAEOB-UHFFFAOYSA-N
XLogP1.49
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.17
LogP ≤ 51.49
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-(4-cyanophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 31949170
3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]benzamide
CID 55874192
4-bromo-N'-[4-(4-tert-butylphenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31421381
4-bromo-N'-[2-(4-chloro-2,6-dimethylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9256237
4-bromo-N'-(4-phenylmethoxybenzoyl)-1H-pyrrole-2-carbohydrazide
CID 9256346
4-bromo-N'-[2-(2-methoxy-4-methylphenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 31597699
4-bromo-N'-[4-(3-bromophenoxy)butanoyl]-1H-pyrrole-2-carbohydrazide
CID 31598036
N-(4-bromophenyl)-2-(4-cyanophenoxy)acetamide
CID 7818711
N-[3-[2-[2-(4-bromo-1H-pyrrole-2-carbonyl)hydrazinyl]-2-oxoethoxy]phenyl]furan-2-carboxamide
CID 55615537
4-acetyl-N'-[2-(4-fluorophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide
CID 9088554
N'-(4-bromophenyl)sulfonyl-2-(4-cyanophenoxy)acetohydrazide
CID 2420734
4-cyano-N'-[2-(4-ethylphenoxy)acetyl]benzohydrazide
CID 2571476

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide (CID 9256144) is 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is N#Cc1ccc(OCC(=O)NNC(=O)c2cc(Br)c[nH]2)cc1.
What is the InChIKey of 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is ZYGZJSCLCCAEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O3/c15-10-5-12(17-7-10)14(21)19-18-13(20)8-22-11-3-1-9(6-16)2-4-11/h1-5,7,17H,8H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 363.17 g/mol, XLogP of 1.49, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[2-(4-cyanophenoxy)acetyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9256144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).