N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

C20H19F3N2O3 — CID 100758389

IUPACN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1N1CCCC1=O
InChIInChI=1S/C20H19F3N2O3/c1-13-7-8-15(11-17(13)25-9-3-6-19(25)27)24-18(26)12-28-16-5-2-4-14(10-16)20(21,22)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,24,26)
InChIKeySNBPDUBBCOXIMG-UHFFFAOYSA-N
MW392.38 g/mol
LogP4.16
Rot. Bonds5

About N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide

N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (PubChem CID 100758389) has the molecular formula C20H19F3N2O3 and a molecular weight of 392.38 g/mol. Its IUPAC name is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
PubChem CID100758389
Molecular FormulaC20H19F3N2O3
Molecular Weight392.38 g/mol
Exact Mass392.13
IUPAC NameN-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
SMILESCc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1N1CCCC1=O
InChIInChI=1S/C20H19F3N2O3/c1-13-7-8-15(11-17(13)25-9-3-6-19(25)27)24-18(26)12-28-16-5-2-4-14(10-16)20(21,22)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,24,26)
InChIKeySNBPDUBBCOXIMG-UHFFFAOYSA-N
XLogP4.16
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.38
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100757579
2-[3-(trifluoromethyl)phenoxy]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 100757803
3-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 27446063
N-[4-methyl-3-(2-oxopiperidin-1-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 7687806
2-(3,4-dimethylphenoxy)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8716554
2-(3-chlorophenyl)-N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 100758441
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]-2-(4-methylphenoxy)acetamide
CID 7687442
N-[4-(piperidine-1-carbonyl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758551
2-(3-methylphenoxy)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687320
N-(3-fluorophenyl)-N'-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679517
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-phenylphenyl)acetamide
CID 7686974
N-(3-ethylphenyl)-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 34280640

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide (CID 100758389) is N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is SNBPDUBBCOXIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O3/c1-13-7-8-15(11-17(13)25-9-3-6-19(25)27)24-18(26)12-28-16-5-2-4-14(10-16)20(21,22)23/h2,4-5,7-8,10-11H,3,6,9,12H2,1H3,(H,24,26).
What are the key properties of N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide?
N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 392.38 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 100758389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).