3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide

C14H17FN4O2 — CID 64548082

IUPAC3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCCCc1ncn[nH]1
InChIInChI=1S/C14H17FN4O2/c15-11-3-5-12(6-4-11)21-9-7-14(20)16-8-1-2-13-17-10-18-19-13/h3-6,10H,1-2,7-9H2,(H,16,20)(H,17,18,19)
InChIKeyBMCRYFNCJMMLEM-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.46
Rot. Bonds8

About 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide

3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide (PubChem CID 64548082) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
PubChem CID64548082
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
SMILESO=C(CCOc1ccc(F)cc1)NCCCc1ncn[nH]1
InChIInChI=1S/C14H17FN4O2/c15-11-3-5-12(6-4-11)21-9-7-14(20)16-8-1-2-13-17-10-18-19-13/h3-6,10H,1-2,7-9H2,(H,16,20)(H,17,18,19)
InChIKeyBMCRYFNCJMMLEM-UHFFFAOYSA-N
XLogP1.46
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide 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-chlorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]acetamide
CID 64517612
4-phenoxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]butanamide
CID 64546403
3-chloro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64530629
2-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide
CID 64548620
4-methoxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]butanamide
CID 79001382
3-(4-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318784
6-[3-(4-fluorophenoxy)propanoylamino]hexanoic acid
CID 43352869
3-(4-bromophenoxy)-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 54884764
4-hydroxy-N-[3-(1H-1,2,4-triazol-5-yl)propyl]pentanamide
CID 79192690
N-[4-(4-fluorophenoxy)butyl]-3-(4-fluorophenyl)propanamide
CID 134056622
6-acetamido-N-[3-(1H-1,2,4-triazol-5-yl)propyl]hexanamide
CID 64547268
3-(4-fluorophenoxy)-N-(2-methoxyethyl)propanamide
CID 110678607

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide (CID 64548082) is 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide is O=C(CCOc1ccc(F)cc1)NCCCc1ncn[nH]1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
The InChIKey is BMCRYFNCJMMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c15-11-3-5-12(6-4-11)21-9-7-14(20)16-8-1-2-13-17-10-18-19-13/h3-6,10H,1-2,7-9H2,(H,16,20)(H,17,18,19).
What are the key properties of 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide?
3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide has a molecular weight of 292.31 g/mol, XLogP of 1.46, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-[3-(1H-1,2,4-triazol-5-yl)propyl]propanamide is sourced from PubChem (CID 64548082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).