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

C14H17FN4O — CID 64511026

IUPAC3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-10-16-13(18-17-10)9-19(2)14(20)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyQUZMXLXQOLLAEG-UHFFFAOYSA-N
MW276.32 g/mol
LogP1.84
Rot. Bonds5

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

3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 64511026) has the molecular formula C14H17FN4O and a molecular weight of 276.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID64511026
Molecular FormulaC14H17FN4O
Molecular Weight276.32 g/mol
Exact Mass276.14
IUPAC Name3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1nc(CN(C)C(=O)CCc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C14H17FN4O/c1-10-16-13(18-17-10)9-19(2)14(20)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17,18)
InChIKeyQUZMXLXQOLLAEG-UHFFFAOYSA-N
XLogP1.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (CID 64511026) is 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is Cc1nc(CN(C)C(=O)CCc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is QUZMXLXQOLLAEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4O/c1-10-16-13(18-17-10)9-19(2)14(20)8-5-11-3-6-12(15)7-4-11/h3-4,6-7H,5,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 276.32 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 64511026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).