2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide

C17H20FN5O2 — CID 166237482

IUPAC2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1n[nH]nc1C(=O)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN5O2/c1-2-13(11-5-7-12(18)8-6-11)16(24)19-15-14(20-22-21-15)17(25)23-9-3-4-10-23/h5-8,13H,2-4,9-10H2,1H3,(H2,19,20,21,22,24)
InChIKeyZREABPDKBDUMEB-UHFFFAOYSA-N
MW345.38 g/mol
LogP2.31
Rot. Bonds5

About 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide

2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide (PubChem CID 166237482) has the molecular formula C17H20FN5O2 and a molecular weight of 345.38 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide
PubChem CID166237482
Molecular FormulaC17H20FN5O2
Molecular Weight345.38 g/mol
Exact Mass345.16
IUPAC Name2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1n[nH]nc1C(=O)N1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H20FN5O2/c1-2-13(11-5-7-12(18)8-6-11)16(24)19-15-14(20-22-21-15)17(25)23-9-3-4-10-23/h5-8,13H,2-4,9-10H2,1H3,(H2,19,20,21,22,24)
InChIKeyZREABPDKBDUMEB-UHFFFAOYSA-N
XLogP2.31
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(4-propan-2-ylphenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyrrolidine-1-carboxamide
CID 166251123
4-ethyl-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
CID 166230700
(2S)-2-(4-fluorophenyl)-N-(4-methyl-1-phenylpyrazol-3-yl)butanamide
CID 124595049
1-methyl-6-oxo-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]pyridine-2-carboxamide
CID 166230701
3-(4-fluorophenyl)-3-hydroxy-1-pyrrolidin-1-ylpropan-1-one
CID 143845941
N-[3-(1,1-dioxothiazinan-2-yl)phenyl]-2-(4-fluorophenyl)butanamide
CID 110353565
4-(dimethylsulfamoyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]benzamide
CID 167787451
3-(5-methylfuran-2-yl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]prop-2-enamide
CID 126799870
2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-1-piperidin-1-ylethanone
CID 81347710
2-(4-fluorophenyl)-N-[(1-hydroxycyclopentyl)methyl]butanamide
CID 110427438
2-[2-(4-fluorophenyl)butanoylamino]butanoic acid
CID 120523263
2-[2-(4-fluorophenyl)butanoylamino]propanoic acid
CID 120523636

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide (CID 166237482) is 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide is CCC(C(=O)Nc1n[nH]nc1C(=O)N1CCCC1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide?
The InChIKey is ZREABPDKBDUMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O2/c1-2-13(11-5-7-12(18)8-6-11)16(24)19-15-14(20-22-21-15)17(25)23-9-3-4-10-23/h5-8,13H,2-4,9-10H2,1H3,(H2,19,20,21,22,24).
What are the key properties of 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide?
2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide has a molecular weight of 345.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[5-(pyrrolidine-1-carbonyl)-2H-triazol-4-yl]butanamide is sourced from PubChem (CID 166237482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).