N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide

C17H15F3N2O2 — CID 52766251

IUPACN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-9-5-4-8-12(13)16(24)22-14(15(21)23)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,21,23)(H,22,24)/t14-/m0/s1
InChIKeyRMCOWMNORPFOGZ-AWEZNQCLSA-N
MW336.31 g/mol
LogP2.53
Rot. Bonds5

About N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide

N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide (PubChem CID 52766251) has the molecular formula C17H15F3N2O2 and a molecular weight of 336.31 g/mol. Its IUPAC name is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
PubChem CID52766251
Molecular FormulaC17H15F3N2O2
Molecular Weight336.31 g/mol
Exact Mass336.11
IUPAC NameN-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
SMILESNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O2/c18-17(19,20)13-9-5-4-8-12(13)16(24)22-14(15(21)23)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,21,23)(H,22,24)/t14-/m0/s1
InChIKeyRMCOWMNORPFOGZ-AWEZNQCLSA-N
XLogP2.53
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.31
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide
CID 2324672
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 153386297
5-[(1-amino-1-oxo-3-phenylpropan-2-yl)carbamoyl]thiophene-2-carboxylic acid
CID 146128298
N-[(1R)-2-hydroxy-1-phenylethyl]-2-(trifluoromethyl)benzamide
CID 40548744
3-sulfo-2-[[2-(trifluoromethyl)benzoyl]amino]propanoic acid
CID 87371343
N-(1-amino-1-oxo-3-phenylpropan-2-yl)-3-chloro-2,4-difluorobenzamide
CID 86791402
(3S)-3-amino-4-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-2-benzyl-4-oxobutanoic acid
CID 67911828
2-acetamido-3-phenylpropanamide;ethane
CID 144643683
benzyl N-[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]carbamate;hydrochloride
CID 159595061
N-(4-amino-3,4-dioxo-1-phenylbutan-2-yl)-2-bromobenzamide
CID 162475674
(4R)-4-[[2-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 95359045
N-[(2S)-4-amino-3,4-dioxo-1-phenylbutan-2-yl]-2-phenylbenzamide
CID 54553924

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide (CID 52766251) is N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide is NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is RMCOWMNORPFOGZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H15F3N2O2/c18-17(19,20)13-9-5-4-8-12(13)16(24)22-14(15(21)23)10-11-6-2-1-3-7-11/h1-9,14H,10H2,(H2,21,23)(H,22,24)/t14-/m0/s1.
What are the key properties of N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide?
N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 336.31 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 52766251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).