N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide

C21H23F3N2O2 — CID 51134582

IUPACN-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
SMILESCCCC(NC(=O)CNC(=O)Cc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O2/c1-2-7-18(16-10-6-11-17(13-16)21(22,23)24)26-20(28)14-25-19(27)12-15-8-4-3-5-9-15/h3-6,8-11,13,18H,2,7,12,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyXIWRWUMWNWVMGS-UHFFFAOYSA-N
MW392.42 g/mol
LogP4.02
Rot. Bonds8

About N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide

N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide (PubChem CID 51134582) has the molecular formula C21H23F3N2O2 and a molecular weight of 392.42 g/mol. Its IUPAC name is N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
PubChem CID51134582
Molecular FormulaC21H23F3N2O2
Molecular Weight392.42 g/mol
Exact Mass392.17
IUPAC NameN-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide
SMILESCCCC(NC(=O)CNC(=O)Cc1ccccc1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C21H23F3N2O2/c1-2-7-18(16-10-6-11-17(13-16)21(22,23)24)26-20(28)14-25-19(27)12-15-8-4-3-5-9-15/h3-6,8-11,13,18H,2,7,12,14H2,1H3,(H,25,27)(H,26,28)
InChIKeyXIWRWUMWNWVMGS-UHFFFAOYSA-N
XLogP4.02
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-oxo-4-phenyl-N-[(1S)-1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 52523148
2-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]sulfanylacetamide
CID 56823666
3-(methoxymethyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]benzamide
CID 52513780
4-amino-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]butyl]butanamide
CID 120591390
(2S)-2-amino-N-[1-[3-(trifluoromethyl)phenyl]butyl]propanamide;hydrochloride
CID 119315290
N-[2-(ethylamino)-2-oxoethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 9224353
3-(3,4-dimethoxyphenyl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]butyl]propanamide
CID 52514675
N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8798590
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
1-benzyl-3-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]urea
CID 27533694
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
N-[2-oxo-2-[[phenyl-[4-(trifluoromethyl)phenyl]methyl]amino]ethyl]propanamide
CID 68870970

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide?
The IUPAC name of N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide (CID 51134582) is N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide.
What is the SMILES notation for N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide?
The canonical SMILES for N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide is CCCC(NC(=O)CNC(=O)Cc1ccccc1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide?
The InChIKey is XIWRWUMWNWVMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O2/c1-2-7-18(16-10-6-11-17(13-16)21(22,23)24)26-20(28)14-25-19(27)12-15-8-4-3-5-9-15/h3-6,8-11,13,18H,2,7,12,14H2,1H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide?
N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide has a molecular weight of 392.42 g/mol, XLogP of 4.02, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[1-[3-(trifluoromethyl)phenyl]butylamino]ethyl]-2-phenylacetamide is sourced from PubChem (CID 51134582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).