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

C20H21FN4O — CID 47092024

IUPACN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)Cc1nnc(-c2ccccc2)n1C
InChIInChI=1S/C20H21FN4O/c1-14(15-9-11-17(21)12-10-15)24(2)19(26)13-18-22-23-20(25(18)3)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyQHEXKJCIRONDAO-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.38
Rot. Bonds5

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

N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide (PubChem CID 47092024) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
PubChem CID47092024
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC NameN-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
SMILESCC(c1ccc(F)cc1)N(C)C(=O)Cc1nnc(-c2ccccc2)n1C
InChIInChI=1S/C20H21FN4O/c1-14(15-9-11-17(21)12-10-15)24(2)19(26)13-18-22-23-20(25(18)3)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3
InChIKeyQHEXKJCIRONDAO-UHFFFAOYSA-N
XLogP3.38
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-fluorophenyl)ethyl]-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 46669540
N-[2-(4-fluorophenyl)ethyl]-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide
CID 154775706
2-[2-[1-(4-fluorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanylacetic acid
CID 113219837
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-pyridin-2-ylsulfanylacetamide
CID 134042036
2-[(4-benzyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 46669081
2-[(5-benzyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 55648639
N-[1-(3,4-difluorophenyl)ethyl]-2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 46513010
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-methyl-N-[(1R)-1-phenylethyl]acetamide
CID 9485258
2-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]sulfanyl]-N-methyl-N-(1-phenylethyl)acetamide
CID 46692849
N-[(1S)-1-(4-fluorophenyl)ethyl]-N-methyl-2-[[4-(2-propan-2-ylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 41298299
2-(cyanomethylsulfanyl)-N-[1-(4-fluorophenyl)ethyl]-N-methylacetamide
CID 51078766
2-amino-N-methyl-N-[1-(4-phenylphenyl)ethyl]acetamide
CID 91645134

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide?
The IUPAC name of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide (CID 47092024) is N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide?
The canonical SMILES for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide is CC(c1ccc(F)cc1)N(C)C(=O)Cc1nnc(-c2ccccc2)n1C.
What is the InChIKey of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide?
The InChIKey is QHEXKJCIRONDAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-14(15-9-11-17(21)12-10-15)24(2)19(26)13-18-22-23-20(25(18)3)16-7-5-4-6-8-16/h4-12,14H,13H2,1-3H3.
What are the key properties of N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide?
N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-fluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-phenyl-1,2,4-triazol-3-yl)acetamide is sourced from PubChem (CID 47092024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).