2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide

C21H22F3NO2 — CID 132851020

IUPAC2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESCC(C)(C)C(=O)N[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H22F3NO2/c1-19(2,3)18(27)25-20(4,15-8-6-5-7-9-15)17(26)14-10-12-16(13-11-14)21(22,23)24/h5-13H,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyLZLDXVVKIYALLL-FQEVSTJZSA-N
MW377.41 g/mol
LogP4.97
Rot. Bonds4

About 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide

2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide (PubChem CID 132851020) has the molecular formula C21H22F3NO2 and a molecular weight of 377.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
PubChem CID132851020
Molecular FormulaC21H22F3NO2
Molecular Weight377.41 g/mol
Exact Mass377.16
IUPAC Name2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide
SMILESCC(C)(C)C(=O)N[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C21H22F3NO2/c1-19(2,3)18(27)25-20(4,15-8-6-5-7-9-15)17(26)14-10-12-16(13-11-14)21(22,23)24/h5-13H,1-4H3,(H,25,27)/t20-/m0/s1
InChIKeyLZLDXVVKIYALLL-FQEVSTJZSA-N
XLogP4.97
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.41
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-phenylpropan-2-yl)-4-(trifluoromethyl)benzamide
CID 113091749
2,2-dimethyl-N-[2-phenyl-1,1-bis[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 59459518
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
CID 161391832
CID 161391832
2-methyl-2-methylsulfanyl-1-[4-(trifluoromethyl)phenyl]propan-1-one
CID 19878430
2,2-dimethyl-1-[4-(trifluoromethyl)phenyl]butan-1-one
CID 24724050
(2S)-2-benzamido-2-phenylpropanoic acid
CID 10967539
1-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]propan-2-one
CID 59226926
2,2-difluoro-1-[4-(trifluoromethyl)phenyl]butane-1,3-dione
CID 141127548
(E)-4,4-dimethyl-3-[4-(trifluoromethyl)phenyl]pent-2-enoic acid
CID 82093337
N-[(2S)-3-oxo-2-phenylbutan-2-yl]benzamide
CID 101078744
CID 175394574
CID 175394574

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide (CID 132851020) is 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide is CC(C)(C)C(=O)N[C@](C)(C(=O)c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
The InChIKey is LZLDXVVKIYALLL-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H22F3NO2/c1-19(2,3)18(27)25-20(4,15-8-6-5-7-9-15)17(26)14-10-12-16(13-11-14)21(22,23)24/h5-13H,1-4H3,(H,25,27)/t20-/m0/s1.
What are the key properties of 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide?
2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide has a molecular weight of 377.41 g/mol, XLogP of 4.97, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[(2S)-1-oxo-2-phenyl-1-[4-(trifluoromethyl)phenyl]propan-2-yl]propanamide is sourced from PubChem (CID 132851020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).