N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide

C15H19FN4O2 — CID 100830994

IUPACN-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cc(COc2ccccc2F)nn1
InChIInChI=1S/C15H19FN4O2/c1-2-3-8-17-15(21)10-20-9-12(18-19-20)11-22-14-7-5-4-6-13(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H,17,21)
InChIKeyLUAHGVDXVIVDHF-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.91
Rot. Bonds8

About N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide

N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide (PubChem CID 100830994) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
PubChem CID100830994
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
SMILESCCCCNC(=O)Cn1cc(COc2ccccc2F)nn1
InChIInChI=1S/C15H19FN4O2/c1-2-3-8-17-15(21)10-20-9-12(18-19-20)11-22-14-7-5-4-6-13(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H,17,21)
InChIKeyLUAHGVDXVIVDHF-UHFFFAOYSA-N
XLogP1.91
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide 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

3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 100830989
2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
CID 100830162
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-[3-(2-fluorophenyl)propyl]acetamide
CID 119055203
N-butyl-4-[4-(phenoxymethyl)triazol-1-yl]butanamide
CID 119055237
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
N-butyl-2-[4-[(2-methoxyethylamino)methyl]triazol-1-yl]acetamide
CID 66205021
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
3-[[2-[4-[(4-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N,N-dimethylpropanamide
CID 100830310
2-amino-3-[1-[2-(butylamino)-2-oxoethyl]triazol-4-yl]propanoic acid
CID 116734900

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide?
The IUPAC name of N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide (CID 100830994) is N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide.
What is the SMILES notation for N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide?
The canonical SMILES for N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide is CCCCNC(=O)Cn1cc(COc2ccccc2F)nn1.
What is the InChIKey of N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide?
The InChIKey is LUAHGVDXVIVDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-2-3-8-17-15(21)10-20-9-12(18-19-20)11-22-14-7-5-4-6-13(14)16/h4-7,9H,2-3,8,10-11H2,1H3,(H,17,21).
What are the key properties of N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide?
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide has a molecular weight of 306.34 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide is sourced from PubChem (CID 100830994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).