(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide

C15H13F3N4O2 — CID 138020096

IUPAC(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)N1Cc2ccccc2C1=O
InChIInChI=1S/C15H13F3N4O2/c1-8(22-7-9-4-2-3-5-10(9)13(22)24)12(23)21-14-19-6-11(20-14)15(16,17)18/h2-6,8H,7H2,1H3,(H2,19,20,21,23)/t8-/m1/s1
InChIKeyILTLBWMARFFCOC-MRVPVSSYSA-N
MW338.29 g/mol
LogP2.41
Rot. Bonds3

About (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide

(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide (PubChem CID 138020096) has the molecular formula C15H13F3N4O2 and a molecular weight of 338.29 g/mol. Its IUPAC name is (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
PubChem CID138020096
Molecular FormulaC15H13F3N4O2
Molecular Weight338.29 g/mol
Exact Mass338.10
IUPAC Name(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide
SMILESC[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)N1Cc2ccccc2C1=O
InChIInChI=1S/C15H13F3N4O2/c1-8(22-7-9-4-2-3-5-10(9)13(22)24)12(23)21-14-19-6-11(20-14)15(16,17)18/h2-6,8H,7H2,1H3,(H2,19,20,21,23)/t8-/m1/s1
InChIKeyILTLBWMARFFCOC-MRVPVSSYSA-N
XLogP2.41
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 20906050
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2-(4-hydroxy-3-oxobutan-2-yl)-3H-isoindol-1-one
CID 123571476
2-(3-oxo-1H-isoindol-2-yl)propanoate
CID 4178065
(2S)-N-(3-methoxyphenyl)-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 92688866
(2S)-N-(1H-benzimidazol-2-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
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CID 97265807
(2S)-2-(3-oxo-1H-isoindol-2-yl)-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 92721994
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-(3-oxo-1H-isoindol-2-yl)propanamide
CID 86207616
(2R)-3-methyl-N-(3-methyl-1,2-thiazol-5-yl)-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 138019891
(2R)-N-(5-methoxypyrimidin-4-yl)-3-methyl-2-(3-oxo-1H-isoindol-2-yl)butanamide
CID 138017545
4-methyl-2-(3-oxo-1H-isoindol-2-yl)-N-[3-(trifluoromethyl)phenyl]pentanamide
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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
The IUPAC name of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide (CID 138020096) is (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide.
What is the SMILES notation for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
The canonical SMILES for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide is C[C@H](C(=O)Nc1ncc(C(F)(F)F)[nH]1)N1Cc2ccccc2C1=O.
What is the InChIKey of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
The InChIKey is ILTLBWMARFFCOC-MRVPVSSYSA-N. The full InChI is InChI=1S/C15H13F3N4O2/c1-8(22-7-9-4-2-3-5-10(9)13(22)24)12(23)21-14-19-6-11(20-14)15(16,17)18/h2-6,8H,7H2,1H3,(H2,19,20,21,23)/t8-/m1/s1.
What are the key properties of (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide?
(2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide has a molecular weight of 338.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-oxo-1H-isoindol-2-yl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]propanamide is sourced from PubChem (CID 138020096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).