3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide

C22H23FN6O — CID 55739350

IUPAC3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C22H23FN6O/c1-16-25-26-27-29(16)21(15-17-7-9-19(23)10-8-17)22(30)24-12-4-13-28-14-11-18-5-2-3-6-20(18)28/h2-3,5-11,14,21H,4,12-13,15H2,1H3,(H,24,30)
InChIKeyWRBHZDZUCASTMZ-UHFFFAOYSA-N
MW406.47 g/mol
LogP3.07
Rot. Bonds8

About 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide

3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide (PubChem CID 55739350) has the molecular formula C22H23FN6O and a molecular weight of 406.47 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
PubChem CID55739350
Molecular FormulaC22H23FN6O
Molecular Weight406.47 g/mol
Exact Mass406.19
IUPAC Name3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide
SMILESCc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCCCn1ccc2ccccc21
InChIInChI=1S/C22H23FN6O/c1-16-25-26-27-29(16)21(15-17-7-9-19(23)10-8-17)22(30)24-12-4-13-28-14-11-18-5-2-3-6-20(18)28/h2-3,5-11,14,21H,4,12-13,15H2,1H3,(H,24,30)
InChIKeyWRBHZDZUCASTMZ-UHFFFAOYSA-N
XLogP3.07
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.47
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(3-pyrazol-1-ylpropyl)propanamide
CID 47039371
3-(4-fluorophenyl)-N-[2-(methylamino)ethyl]-2-(5-methyltetrazol-1-yl)propanamide;hydrochloride
CID 119500200
2,2-difluoro-N-(3-indol-1-ylpropyl)acetamide
CID 113218212
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-(2-pyridin-3-ylethyl)propanamide
CID 86994053
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-[2-(2,4,6-trimethylphenyl)ethyl]propanamide
CID 55878063
2-[(4-fluorophenyl)methyl]-3-[[N-(3-indol-1-ylpropyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111342109
(2S)-2-(4-fluorophenyl)-3-hydroxy-N-(3-indol-1-ylpropyl)propanamide
CID 124727193
N-[2-(cycloheptylamino)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 119619312
N-[2-(5-bromothiophen-2-yl)ethyl]-3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanamide
CID 78880480
3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)-N-piperidin-4-ylpropanamide;hydrochloride
CID 119386064
3-(4-fluorophenyl)-N-[(2-hydroxycyclopentyl)methyl]-2-(5-methyltetrazol-1-yl)propanamide
CID 111464206
2-[[[3-(4-fluorophenyl)-2-(5-methyltetrazol-1-yl)propanoyl]amino]methyl]-1,3-thiazole-4-carboxylic acid
CID 119244757

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide (CID 55739350) is 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide is Cc1nnnn1C(Cc1ccc(F)cc1)C(=O)NCCCn1ccc2ccccc21.
What is the InChIKey of 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide?
The InChIKey is WRBHZDZUCASTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN6O/c1-16-25-26-27-29(16)21(15-17-7-9-19(23)10-8-17)22(30)24-12-4-13-28-14-11-18-5-2-3-6-20(18)28/h2-3,5-11,14,21H,4,12-13,15H2,1H3,(H,24,30).
What are the key properties of 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide?
3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide has a molecular weight of 406.47 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-(3-indol-1-ylpropyl)-2-(5-methyltetrazol-1-yl)propanamide is sourced from PubChem (CID 55739350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).