4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide

C22H18BrFN4O2 — CID 55506995

IUPAC4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C22H18BrFN4O2/c23-14-10-19(25-12-14)22(30)28-27-20(29)9-7-16-17-11-15(24)6-8-18(17)26-21(16)13-4-2-1-3-5-13/h1-6,8,10-12,25-26H,7,9H2,(H,27,29)(H,28,30)
InChIKeyVYBGJFPBOGLRAA-UHFFFAOYSA-N
MW469.31 g/mol
LogP4.46
Rot. Bonds5

About 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide

4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 55506995) has the molecular formula C22H18BrFN4O2 and a molecular weight of 469.31 g/mol. Its IUPAC name is 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound Name4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID55506995
Molecular FormulaC22H18BrFN4O2
Molecular Weight469.31 g/mol
Exact Mass468.06
IUPAC Name4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)c1cc(Br)c[nH]1
InChIInChI=1S/C22H18BrFN4O2/c23-14-10-19(25-12-14)22(30)28-27-20(29)9-7-16-17-11-15(24)6-8-18(17)26-21(16)13-4-2-1-3-5-13/h1-6,8,10-12,25-26H,7,9H2,(H,27,29)(H,28,30)
InChIKeyVYBGJFPBOGLRAA-UHFFFAOYSA-N
XLogP4.46
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.31
LogP ≤ 54.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78818180
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-hydroxypropyl)propanamide
CID 78854501
4-bromo-N'-[3-(4-fluorophenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 9256765
N'-(4,6-dimethylpyrimidin-2-yl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanehydrazide
CID 42025322
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17458105
2-(5-fluoro-2-phenyl-1H-indol-3-yl)acetamide
CID 152609120
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-[[4-(methylsulfamoyl)phenyl]methyl]propanamide
CID 46463974
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 166586041
3-(5-fluoro-2-phenyl-1H-indol-3-yl)-N-(3-oxo-3-piperidin-1-ylpropyl)propanamide
CID 55803522
N-(2,4-dimethoxyphenyl)-3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanamide
CID 51489549
3-[5-fluoro-2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-(methylamino)-2-oxoethyl]propanamide
CID 17392425
3-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl-methylamino]-2-methylpropanoic acid
CID 119228674

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide (CID 55506995) is 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide is O=C(CCc1c(-c2ccccc2)[nH]c2ccc(F)cc12)NNC(=O)c1cc(Br)c[nH]1.
What is the InChIKey of 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is VYBGJFPBOGLRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18BrFN4O2/c23-14-10-19(25-12-14)22(30)28-27-20(29)9-7-16-17-11-15(24)6-8-18(17)26-21(16)13-4-2-1-3-5-13/h1-6,8,10-12,25-26H,7,9H2,(H,27,29)(H,28,30).
What are the key properties of 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide?
4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 469.31 g/mol, XLogP of 4.46, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 55506995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).