N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide

C13H15F3N2O2 — CID 8750240

IUPACN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-3-17-11(19)8(2)18-12(20)9-5-4-6-10(7-9)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)/t8-/m1/s1
InChIKeyVHTXMVWNRZLNJF-MRVPVSSYSA-N
MW288.27 g/mol
LogP1.96
Rot. Bonds4

About N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide

N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide (PubChem CID 8750240) has the molecular formula C13H15F3N2O2 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
PubChem CID8750240
Molecular FormulaC13H15F3N2O2
Molecular Weight288.27 g/mol
Exact Mass288.11
IUPAC NameN-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide
SMILESCCNC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H15F3N2O2/c1-3-17-11(19)8(2)18-12(20)9-5-4-6-10(7-9)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)/t8-/m1/s1
InChIKeyVHTXMVWNRZLNJF-MRVPVSSYSA-N
XLogP1.96
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 41250993
2-[[3-(trifluoromethyl)benzoyl]amino]butanoic acid
CID 43387176
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methoxymethyl)benzamide
CID 9470580
(2R)-N-ethyl-2-[[(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoyl]amino]propanamide
CID 8750344
3-methyl-2-[[3-(trifluoromethyl)benzoyl]amino]pentanoic acid
CID 43079375
N-[1-oxo-1-[2-[3-(trifluoromethyl)phenyl]hydrazinyl]propan-2-yl]benzamide
CID 55343312
4-tert-butyl-N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]benzamide
CID 8750199
tetradecyl (2S)-2-[[3-(trifluoromethyl)benzoyl]amino]propanoate
CID 20837522
N-(4-bromobutan-2-yl)-3-(trifluoromethyl)benzamide
CID 83180357
N-[(2S)-4-phenylbutan-2-yl]-3-(trifluoromethyl)benzamide
CID 2521792
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(methylsulfanylmethyl)benzamide
CID 9470598
[2-oxo-2-[[(2S)-1-oxo-1-(propylamino)propan-2-yl]amino]ethyl] 3-(trifluoromethyl)benzoate
CID 9014607

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide (CID 8750240) is N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide is CCNC(=O)[C@@H](C)NC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is VHTXMVWNRZLNJF-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H15F3N2O2/c1-3-17-11(19)8(2)18-12(20)9-5-4-6-10(7-9)13(14,15)16/h4-8H,3H2,1-2H3,(H,17,19)(H,18,20)/t8-/m1/s1.
What are the key properties of N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide?
N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 288.27 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(ethylamino)-1-oxopropan-2-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 8750240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).