N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

C23H20F3N5O2 — CID 118962044

IUPACN-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESCOc1cc(Cn2ncc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)ccc1C#N
InChIInChI=1S/C23H20F3N5O2/c1-33-19-10-16(2-5-17(19)12-27)14-31-28-13-20(30-31)29-21(32)11-15-3-6-18(7-4-15)22(8-9-22)23(24,25)26/h2-7,10,13H,8-9,11,14H2,1H3,(H,29,30,32)
InChIKeyFPVKEJFYWZLEGQ-UHFFFAOYSA-N
MW455.44 g/mol
LogP3.98
Rot. Bonds7

About N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide

N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (PubChem CID 118962044) has the molecular formula C23H20F3N5O2 and a molecular weight of 455.44 g/mol. Its IUPAC name is N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
PubChem CID118962044
Molecular FormulaC23H20F3N5O2
Molecular Weight455.44 g/mol
Exact Mass455.16
IUPAC NameN-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide
SMILESCOc1cc(Cn2ncc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)ccc1C#N
InChIInChI=1S/C23H20F3N5O2/c1-33-19-10-16(2-5-17(19)12-27)14-31-28-13-20(30-31)29-21(32)11-15-3-6-18(7-4-15)22(8-9-22)23(24,25)26/h2-7,10,13H,8-9,11,14H2,1H3,(H,29,30,32)
InChIKeyFPVKEJFYWZLEGQ-UHFFFAOYSA-N
XLogP3.98
TPSA92.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.44
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide with MolForge

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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 181
CID 118962012
US10246426, Example 119
CID 118962024
US10246426, Example 153
CID 118962025
US10246426, Example 108
CID 118962032
US10246426, Example 112
CID 118962051
US10246426, Example 131
CID 118962055
US10246426, Example 113
CID 118962061

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The IUPAC name of N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide (CID 118962044) is N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The canonical SMILES for N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is COc1cc(Cn2ncc(NC(=O)Cc3ccc(C4(C(F)(F)F)CC4)cc3)n2)ccc1C#N.
What is the InChIKey of N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
The InChIKey is FPVKEJFYWZLEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N5O2/c1-33-19-10-16(2-5-17(19)12-27)14-31-28-13-20(30-31)29-21(32)11-15-3-6-18(7-4-15)22(8-9-22)23(24,25)26/h2-7,10,13H,8-9,11,14H2,1H3,(H,29,30,32).
What are the key properties of N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide?
N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide has a molecular weight of 455.44 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-cyano-3-methoxyphenyl)methyl]triazol-4-yl]-2-[4-[1-(trifluoromethyl)cyclopropyl]phenyl]acetamide is sourced from PubChem (CID 118962044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).