N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide

C22H25F3N2O2 — CID 10117927

IUPACN-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(CN1CCCC1)c1cccc(O)c1
InChIInChI=1S/C22H25F3N2O2/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(28)14-17/h4-10,14,20,28H,2-3,11-13,15H2,1H3
InChIKeyNJNMSBQJBJTUPG-UHFFFAOYSA-N
MW406.45 g/mol
LogP4.25
Rot. Bonds6

About N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide

N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 10117927) has the molecular formula C22H25F3N2O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID10117927
Molecular FormulaC22H25F3N2O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC NameN-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(CN1CCCC1)c1cccc(O)c1
InChIInChI=1S/C22H25F3N2O2/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(28)14-17/h4-10,14,20,28H,2-3,11-13,15H2,1H3
InChIKeyNJNMSBQJBJTUPG-UHFFFAOYSA-N
XLogP4.25
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 10117927) is N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is CN(C(=O)Cc1ccc(C(F)(F)F)cc1)C(CN1CCCC1)c1cccc(O)c1.
What is the InChIKey of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is NJNMSBQJBJTUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O2/c1-26(21(29)13-16-7-9-18(10-8-16)22(23,24)25)20(15-27-11-2-3-12-27)17-5-4-6-19(28)14-17/h4-10,14,20,28H,2-3,11-13,15H2,1H3.
What are the key properties of N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 406.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-hydroxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 10117927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).