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

C23H27F3N2O2 — CID 10207990

IUPACN-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H27F3N2O2/c1-27(22(29)14-17-8-10-19(11-9-17)23(24,25)26)21(16-28-12-3-4-13-28)18-6-5-7-20(15-18)30-2/h5-11,15,21H,3-4,12-14,16H2,1-2H3
InChIKeyHNRKCZXMZVWGKJ-UHFFFAOYSA-N
MW420.48 g/mol
LogP4.55
Rot. Bonds7

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

N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 10207990) has the molecular formula C23H27F3N2O2 and a molecular weight of 420.48 g/mol. Its IUPAC name is N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID10207990
Molecular FormulaC23H27F3N2O2
Molecular Weight420.48 g/mol
Exact Mass420.20
IUPAC NameN-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C23H27F3N2O2/c1-27(22(29)14-17-8-10-19(11-9-17)23(24,25)26)21(16-28-12-3-4-13-28)18-6-5-7-20(15-18)30-2/h5-11,15,21H,3-4,12-14,16H2,1-2H3
InChIKeyHNRKCZXMZVWGKJ-UHFFFAOYSA-N
XLogP4.55
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide (CID 10207990) is N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is COc1cccc(C(CN2CCCC2)N(C)C(=O)Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HNRKCZXMZVWGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N2O2/c1-27(22(29)14-17-8-10-19(11-9-17)23(24,25)26)21(16-28-12-3-4-13-28)18-6-5-7-20(15-18)30-2/h5-11,15,21H,3-4,12-14,16H2,1-2H3.
What are the key properties of N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide?
N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 420.48 g/mol, XLogP of 4.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-N-methyl-2-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 10207990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).