2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide

C20H32FN5O2 — CID 166389907

IUPAC2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCC(C(=O)N1CCCC1CN(C)C(=O)C(F)C1CCCCC1)n1cncn1
InChIInChI=1S/C20H32FN5O2/c1-3-17(26-14-22-13-23-26)19(27)25-11-7-10-16(25)12-24(2)20(28)18(21)15-8-5-4-6-9-15/h13-18H,3-12H2,1-2H3
InChIKeyZKRVFAJJFURMQW-UHFFFAOYSA-N
MW393.51 g/mol
LogP2.60
Rot. Bonds7

About 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide

2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide (PubChem CID 166389907) has the molecular formula C20H32FN5O2 and a molecular weight of 393.51 g/mol. Its IUPAC name is 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide
PubChem CID166389907
Molecular FormulaC20H32FN5O2
Molecular Weight393.51 g/mol
Exact Mass393.25
IUPAC Name2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide
SMILESCCC(C(=O)N1CCCC1CN(C)C(=O)C(F)C1CCCCC1)n1cncn1
InChIInChI=1S/C20H32FN5O2/c1-3-17(26-14-22-13-23-26)19(27)25-11-7-10-16(25)12-24(2)20(28)18(21)15-8-5-4-6-9-15/h13-18H,3-12H2,1-2H3
InChIKeyZKRVFAJJFURMQW-UHFFFAOYSA-N
XLogP2.60
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide?
The IUPAC name of 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide (CID 166389907) is 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide.
What is the SMILES notation for 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide?
The canonical SMILES for 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide is CCC(C(=O)N1CCCC1CN(C)C(=O)C(F)C1CCCCC1)n1cncn1.
What is the InChIKey of 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide?
The InChIKey is ZKRVFAJJFURMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32FN5O2/c1-3-17(26-14-22-13-23-26)19(27)25-11-7-10-16(25)12-24(2)20(28)18(21)15-8-5-4-6-9-15/h13-18H,3-12H2,1-2H3.
What are the key properties of 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide?
2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide has a molecular weight of 393.51 g/mol, XLogP of 2.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-fluoro-N-methyl-N-[[1-[2-(1,2,4-triazol-1-yl)butanoyl]pyrrolidin-2-yl]methyl]acetamide is sourced from PubChem (CID 166389907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).