2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide

C19H20FN5O — CID 118962188

IUPAC2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H20FN5O/c1-24(2)17-9-5-14(6-10-17)11-19(26)22-18-12-21-25(23-18)13-15-3-7-16(20)8-4-15/h3-10,12H,11,13H2,1-2H3,(H,22,23,26)
InChIKeyOZJIXUSYXPXSHB-UHFFFAOYSA-N
MW353.40 g/mol
LogP2.71
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide

2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide (PubChem CID 118962188) has the molecular formula C19H20FN5O and a molecular weight of 353.40 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
PubChem CID118962188
Molecular FormulaC19H20FN5O
Molecular Weight353.40 g/mol
Exact Mass353.17
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C19H20FN5O/c1-24(2)17-9-5-14(6-10-17)11-19(26)22-18-12-21-25(23-18)13-15-3-7-16(20)8-4-15/h3-10,12H,11,13H2,1-2H3,(H,22,23,26)
InChIKeyOZJIXUSYXPXSHB-UHFFFAOYSA-N
XLogP2.71
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide (CID 118962188) is 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide is CN(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
The InChIKey is OZJIXUSYXPXSHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O/c1-24(2)17-9-5-14(6-10-17)11-19(26)22-18-12-21-25(23-18)13-15-3-7-16(20)8-4-15/h3-10,12H,11,13H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide has a molecular weight of 353.40 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[2-[(4-fluorophenyl)methyl]triazol-4-yl]acetamide is sourced from PubChem (CID 118962188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).