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

C14H17FN4O2 — CID 64512190

IUPAC3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CCOc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O2/c1-10-16-13(18-17-10)9-19(2)14(20)7-8-21-12-5-3-11(15)4-6-12/h3-6H,7-9H2,1-2H3,(H,16,17,18)
InChIKeyLPWILAWQJVEGJF-UHFFFAOYSA-N
MW292.31 g/mol
LogP1.68
Rot. Bonds6

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

3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 64512190) has the molecular formula C14H17FN4O2 and a molecular weight of 292.31 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID64512190
Molecular FormulaC14H17FN4O2
Molecular Weight292.31 g/mol
Exact Mass292.13
IUPAC Name3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CCOc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O2/c1-10-16-13(18-17-10)9-19(2)14(20)7-8-21-12-5-3-11(15)4-6-12/h3-6H,7-9H2,1-2H3,(H,16,17,18)
InChIKeyLPWILAWQJVEGJF-UHFFFAOYSA-N
XLogP1.68
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (CID 64512190) is 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is Cc1nc(CN(C)C(=O)CCOc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is LPWILAWQJVEGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O2/c1-10-16-13(18-17-10)9-19(2)14(20)7-8-21-12-5-3-11(15)4-6-12/h3-6H,7-9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 292.31 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 64512190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).