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

C22H19FN4O2 — CID 78818180

IUPACN'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C22H19FN4O2/c23-15-9-7-14(8-10-15)21-17(16-4-1-2-5-18(16)25-21)11-12-20(28)26-27-22(29)19-6-3-13-24-19/h1-10,13,24-25H,11-12H2,(H,26,28)(H,27,29)
InChIKeyCHDZWEDARLRXAE-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.70
Rot. Bonds5

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

N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide (PubChem CID 78818180) has the molecular formula C22H19FN4O2 and a molecular weight of 390.42 g/mol. Its IUPAC name is N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide.

Molecular Properties

Compound NameN'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
PubChem CID78818180
Molecular FormulaC22H19FN4O2
Molecular Weight390.42 g/mol
Exact Mass390.15
IUPAC NameN'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide
SMILESO=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)c1ccc[nH]1
InChIInChI=1S/C22H19FN4O2/c23-15-9-7-14(8-10-15)21-17(16-4-1-2-5-18(16)25-21)11-12-20(28)26-27-22(29)19-6-3-13-24-19/h1-10,13,24-25H,11-12H2,(H,26,28)(H,27,29)
InChIKeyCHDZWEDARLRXAE-UHFFFAOYSA-N
XLogP3.70
TPSA89.78 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.70
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

4-bromo-N'-[3-(5-fluoro-2-phenyl-1H-indol-3-yl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 55506995
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-propan-2-ylpropanamide
CID 51229084
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyridin-2-ylpropanamide
CID 56809441
N-butan-2-yl-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 55412331
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-pyrrolidin-1-ylsulfonylpropanamide
CID 167784657
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-(1H-pyrazol-5-yl)propanamide
CID 47835724
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 9083531
3-[2-(4-fluorophenyl)-1H-indol-3-yl]-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55671297
N-[3-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]-2-methylphenyl]benzamide
CID 55898909
N'-[3-(4-methylphenyl)propanoyl]-1H-pyrrole-2-carbohydrazide
CID 78829860
N-(1,3-benzodioxol-5-ylmethyl)-3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanamide
CID 8869378
methyl N-[4-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoylamino]phenyl]-N-methylcarbamate
CID 60578471

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide?
The IUPAC name of N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide (CID 78818180) is N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide.
What is the SMILES notation for N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide?
The canonical SMILES for N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide is O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)NNC(=O)c1ccc[nH]1.
What is the InChIKey of N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide?
The InChIKey is CHDZWEDARLRXAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2/c23-15-9-7-14(8-10-15)21-17(16-4-1-2-5-18(16)25-21)11-12-20(28)26-27-22(29)19-6-3-13-24-19/h1-10,13,24-25H,11-12H2,(H,26,28)(H,27,29).
What are the key properties of N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide?
N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide has a molecular weight of 390.42 g/mol, XLogP of 3.70, 5 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-(4-fluorophenyl)-1H-indol-3-yl]propanoyl]-1H-pyrrole-2-carbohydrazide is sourced from PubChem (CID 78818180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).