2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide

C15H17FN6O2 — CID 71791436

IUPAC2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN6O2/c16-11-4-6-12(7-5-11)22-19-14(18-20-22)15(24)17-8-2-10-21-9-1-3-13(21)23/h4-7H,1-3,8-10H2,(H,17,24)
InChIKeyMREOXEVVRCDSMK-UHFFFAOYSA-N
MW332.34 g/mol
LogP0.54
Rot. Bonds6

About 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide

2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide (PubChem CID 71791436) has the molecular formula C15H17FN6O2 and a molecular weight of 332.34 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
PubChem CID71791436
Molecular FormulaC15H17FN6O2
Molecular Weight332.34 g/mol
Exact Mass332.14
IUPAC Name2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(F)cc2)n1
InChIInChI=1S/C15H17FN6O2/c16-11-4-6-12(7-5-11)22-19-14(18-20-22)15(24)17-8-2-10-21-9-1-3-13(21)23/h4-7H,1-3,8-10H2,(H,17,24)
InChIKeyMREOXEVVRCDSMK-UHFFFAOYSA-N
XLogP0.54
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 50.54
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

2-(4-bromophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide
CID 71791701
1-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915361
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
2,3-bis(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoxaline-6-carboxamide
CID 22588028
2-(4-fluoro-N-methylanilino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 87014857
2-[4-(4-fluorobenzoyl)piperazin-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 86923478
1-(4-fluorophenyl)-N-[2-(2-oxoazepan-1-yl)ethyl]pyrazole-3-carboxamide
CID 39515050
3-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide
CID 87051668
5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-N-[3-(2-oxoazepan-1-yl)propyl]pyrazole-4-carboxamide
CID 46529267
3-[(4-fluorophenyl)sulfamoyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 25161910
8-(4-fluorophenyl)-2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 46334671
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide (CID 71791436) is 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide is O=C(NCCCN1CCCC1=O)c1nnn(-c2ccc(F)cc2)n1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
The InChIKey is MREOXEVVRCDSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN6O2/c16-11-4-6-12(7-5-11)22-19-14(18-20-22)15(24)17-8-2-10-21-9-1-3-13(21)23/h4-7H,1-3,8-10H2,(H,17,24).
What are the key properties of 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide?
2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide has a molecular weight of 332.34 g/mol, XLogP of 0.54, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]tetrazole-5-carboxamide is sourced from PubChem (CID 71791436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).