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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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).