3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide

C17H20F2N4O2 — CID 91769457

IUPAC3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCc2ccc(F)cc2F)C1
InChIInChI=1S/C17H20F2N4O2/c1-23-15(9-24)21-22-17(23)11-6-13(7-11)20-16(25)5-3-10-2-4-12(18)8-14(10)19/h2,4,8,11,13,24H,3,5-7,9H2,1H3,(H,20,25)
InChIKeyJIZZTAOEVXDLPF-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.58
Rot. Bonds6

About 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide

3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide (PubChem CID 91769457) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
PubChem CID91769457
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide
SMILESCn1c(CO)nnc1C1CC(NC(=O)CCc2ccc(F)cc2F)C1
InChIInChI=1S/C17H20F2N4O2/c1-23-15(9-24)21-22-17(23)11-6-13(7-11)20-16(25)5-3-10-2-4-12(18)8-14(10)19/h2,4,8,11,13,24H,3,5-7,9H2,1H3,(H,20,25)
InChIKeyJIZZTAOEVXDLPF-UHFFFAOYSA-N
XLogP1.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301765
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-4-phenoxybutanamide
CID 91786458
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-3-(oxazinan-2-yl)propanamide
CID 91760265
4-[3-(2,4-difluorophenyl)propanoylamino]cyclohexane-1-carboxylic acid
CID 162632420
N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(2-methylbenzimidazol-1-yl)acetamide
CID 91783286
3-(2,5-difluorophenyl)-N-[(3R)-1-methyl-5-oxopyrrolidin-3-yl]propanamide
CID 95274540
4-(2,4-difluorophenyl)butan-2-one
CID 62197971
3-(2,4-difluorophenyl)-N'-methylpropanehydrazide
CID 116846361
5-fluoro-2-hydroxy-N-[3-[4-methyl-5-(pyrazol-1-ylmethyl)-1,2,4-triazol-3-yl]cyclobutyl]benzamide
CID 91796886
N-[3-[5-[[4-[(4-fluorophenyl)methyl]piperidin-1-yl]methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]acetamide
CID 91777653
N-[3-[5-[(dimethylamino)methyl]-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91792882
3-(2,4-difluorophenyl)-N-(1-pyrazin-2-ylpiperidin-3-yl)propanamide
CID 90648731

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide (CID 91769457) is 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide is Cn1c(CO)nnc1C1CC(NC(=O)CCc2ccc(F)cc2F)C1.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide?
The InChIKey is JIZZTAOEVXDLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-23-15(9-24)21-22-17(23)11-6-13(7-11)20-16(25)5-3-10-2-4-12(18)8-14(10)19/h2,4,8,11,13,24H,3,5-7,9H2,1H3,(H,20,25).
What are the key properties of 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide?
3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide has a molecular weight of 350.37 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[3-[5-(hydroxymethyl)-4-methyl-1,2,4-triazol-3-yl]cyclobutyl]propanamide is sourced from PubChem (CID 91769457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).