N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide

C21H23FN4O2 — CID 118962025

IUPACN-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)ccc1F
InChIInChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-18(22)19(10-16)28-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27)
InChIKeyMZHJRIPWEMIRSJ-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.78
Rot. Bonds7

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

N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (PubChem CID 118962025) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound NameN-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
PubChem CID118962025
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide
SMILESCOc1cc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)ccc1F
InChIInChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-18(22)19(10-16)28-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27)
InChIKeyMZHJRIPWEMIRSJ-UHFFFAOYSA-N
XLogP3.78
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

US10246426, Example 154
CID 118961973
US10246426, Example 184
CID 118961982
US10246426, Example 158
CID 118961996
US10246426, Example 130
CID 118962001
US10246426, Example 218
CID 118962004
US10246426, Example 123
CID 118962010
US10246426, Example 181
CID 118962012
US10246426, Example 119
CID 118962024
US10246426, Example 20
CID 118962030
US10246426, Example 108
CID 118962032
US10246426, Example 233
CID 118962044
US10246426, Example 112
CID 118962051

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide (CID 118962025) is N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is COc1cc(Cn2ncc(NC(=O)Cc3ccc(C(C)C)cc3)n2)ccc1F.
What is the InChIKey of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
The InChIKey is MZHJRIPWEMIRSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-14(2)17-7-4-15(5-8-17)11-21(27)24-20-12-23-26(25-20)13-16-6-9-18(22)19(10-16)28-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,25,27).
What are the key properties of N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide?
N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-fluoro-3-methoxyphenyl)methyl]triazol-4-yl]-2-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 118962025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).