2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide

C18H23FN4O — CID 154569134

IUPAC2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCCn1nc(CC(=O)NC)nc1C1(c2ccccc2F)CC1(C)C
InChIInChI=1S/C18H23FN4O/c1-5-23-16(21-14(22-23)10-15(24)20-4)18(11-17(18,2)3)12-8-6-7-9-13(12)19/h6-9H,5,10-11H2,1-4H3,(H,20,24)
InChIKeyUAAMJXDZBYGJKB-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.44
Rot. Bonds5

About 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide

2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide (PubChem CID 154569134) has the molecular formula C18H23FN4O and a molecular weight of 330.41 g/mol. Its IUPAC name is 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide
PubChem CID154569134
Molecular FormulaC18H23FN4O
Molecular Weight330.41 g/mol
Exact Mass330.19
IUPAC Name2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide
SMILESCCn1nc(CC(=O)NC)nc1C1(c2ccccc2F)CC1(C)C
InChIInChI=1S/C18H23FN4O/c1-5-23-16(21-14(22-23)10-15(24)20-4)18(11-17(18,2)3)12-8-6-7-9-13(12)19/h6-9H,5,10-11H2,1-4H3,(H,20,24)
InChIKeyUAAMJXDZBYGJKB-UHFFFAOYSA-N
XLogP2.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The IUPAC name of 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide (CID 154569134) is 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide.
What is the SMILES notation for 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The canonical SMILES for 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide is CCn1nc(CC(=O)NC)nc1C1(c2ccccc2F)CC1(C)C.
What is the InChIKey of 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
The InChIKey is UAAMJXDZBYGJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23FN4O/c1-5-23-16(21-14(22-23)10-15(24)20-4)18(11-17(18,2)3)12-8-6-7-9-13(12)19/h6-9H,5,10-11H2,1-4H3,(H,20,24).
What are the key properties of 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide?
2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide has a molecular weight of 330.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-5-[1-(2-fluorophenyl)-2,2-dimethylcyclopropyl]-1,2,4-triazol-3-yl]-N-methylacetamide is sourced from PubChem (CID 154569134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).