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

C15H20FN5O — CID 72891158

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n[nH]1
InChIInChI=1S/C15H20FN5O/c1-10-18-13(20-19-10)8-9-17-15(22)14(21(2)3)11-4-6-12(16)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyOJNYNXNKIMZPJT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.21
Rot. Bonds6

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

2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (PubChem CID 72891158) has the molecular formula C15H20FN5O and a molecular weight of 305.36 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
PubChem CID72891158
Molecular FormulaC15H20FN5O
Molecular Weight305.36 g/mol
Exact Mass305.17
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n[nH]1
InChIInChI=1S/C15H20FN5O/c1-10-18-13(20-19-10)8-9-17-15(22)14(21(2)3)11-4-6-12(16)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,17,22)(H,18,19,20)
InChIKeyOJNYNXNKIMZPJT-UHFFFAOYSA-N
XLogP1.21
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide (CID 72891158) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is Cc1nc(CCNC(=O)C(c2ccc(F)cc2)N(C)C)n[nH]1.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
The InChIKey is OJNYNXNKIMZPJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN5O/c1-10-18-13(20-19-10)8-9-17-15(22)14(21(2)3)11-4-6-12(16)7-5-11/h4-7,14H,8-9H2,1-3H3,(H,17,22)(H,18,19,20).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide has a molecular weight of 305.36 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[2-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 72891158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).