N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

C20H20F2N4O — CID 118962042

IUPACN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H20F2N4O/c1-13(2)16-6-3-14(4-7-16)10-20(27)24-19-11-23-26(25-19)12-15-5-8-17(21)18(22)9-15/h3-9,11,13H,10,12H2,1-2H3,(H,24,25,27)
InChIKeyMQEYCCRZJALFGO-UHFFFAOYSA-N
MW370.40 g/mol
LogP3.91
Rot. Bonds6

About N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118962042) has the molecular formula C20H20F2N4O and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118962042
Molecular FormulaC20H20F2N4O
Molecular Weight370.40 g/mol
Exact Mass370.16
IUPAC NameN-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)c(F)c3)n2)cc1
InChIInChI=1S/C20H20F2N4O/c1-13(2)16-6-3-14(4-7-16)10-20(27)24-19-11-23-26(25-19)12-15-5-8-17(21)18(22)9-15/h3-9,11,13H,10,12H2,1-2H3,(H,24,25,27)
InChIKeyMQEYCCRZJALFGO-UHFFFAOYSA-N
XLogP3.91
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(4-propan-2-ylphenyl)acetamide
CID 118560592
2-(2-fluorophenyl)-N-(2-phenyl-2H-1,2,3-triazol-4-yl)acetamide
CID 75398271
US10246426, Example 14
CID 118961976
US10246426, Example 195
CID 118962003
US10246426, Example 249
CID 118962020
US10246426, Example 20
CID 118962030
US10246426, Example 1
CID 118962038
US10246426, Example 54
CID 118962041
US10246426, Example 235
CID 118962049
US10246426, Example 53
CID 118962050
US10246426, Example 241
CID 118962062
US10246426, Example 172
CID 118962079

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118962042) is N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(CC(=O)Nc2cnn(Cc3ccc(F)c(F)c3)n2)cc1.
What is the InChIKey of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MQEYCCRZJALFGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N4O/c1-13(2)16-6-3-14(4-7-16)10-20(27)24-19-11-23-26(25-19)12-15-5-8-17(21)18(22)9-15/h3-9,11,13H,10,12H2,1-2H3,(H,24,25,27).
What are the key properties of N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 370.40 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-difluorophenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118962042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).