4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

C14H13BrFN3O2 — CID 9256765

IUPAC4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCc1ccc(F)cc1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H13BrFN3O2/c15-10-7-12(17-8-10)14(21)19-18-13(20)6-3-9-1-4-11(16)5-2-9/h1-2,4-5,7-8,17H,3,6H2,(H,18,20)(H,19,21)
InChIKeyXMKDLIARRDCFEZ-UHFFFAOYSA-N
MW354.18 g/mol
LogP2.31
Rot. Bonds4

About 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 9256765) has the molecular formula C14H13BrFN3O2 and a molecular weight of 354.18 g/mol. Its IUPAC name is 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID9256765
Molecular FormulaC14H13BrFN3O2
Molecular Weight354.18 g/mol
Exact Mass353.02
IUPAC Name4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCc1ccc(F)cc1)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C14H13BrFN3O2/c15-10-7-12(17-8-10)14(21)19-18-13(20)6-3-9-1-4-11(16)5-2-9/h1-2,4-5,7-8,17H,3,6H2,(H,18,20)(H,19,21)
InChIKeyXMKDLIARRDCFEZ-UHFFFAOYSA-N
XLogP2.31
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.18
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 9256765) is 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is O=C(CCc1ccc(F)cc1)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is XMKDLIARRDCFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrFN3O2/c15-10-7-12(17-8-10)14(21)19-18-13(20)6-3-9-1-4-11(16)5-2-9/h1-2,4-5,7-8,17H,3,6H2,(H,18,20)(H,19,21).
What are the key properties of 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 354.18 g/mol, XLogP of 2.31, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 9256765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).