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

C13H15FN4O — CID 64510019

IUPAC2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN4O/c1-9-15-12(17-16-9)8-18(2)13(19)7-10-3-5-11(14)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyMKAIQNFDTXRKBN-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.45
Rot. Bonds4

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

2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (PubChem CID 64510019) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
PubChem CID64510019
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide
SMILESCc1nc(CN(C)C(=O)Cc2ccc(F)cc2)n[nH]1
InChIInChI=1S/C13H15FN4O/c1-9-15-12(17-16-9)8-18(2)13(19)7-10-3-5-11(14)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyMKAIQNFDTXRKBN-UHFFFAOYSA-N
XLogP1.45
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide (CID 64510019) is 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is Cc1nc(CN(C)C(=O)Cc2ccc(F)cc2)n[nH]1.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
The InChIKey is MKAIQNFDTXRKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-9-15-12(17-16-9)8-18(2)13(19)7-10-3-5-11(14)6-4-10/h3-6H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide?
2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide has a molecular weight of 262.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]acetamide is sourced from PubChem (CID 64510019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).