(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

C18H13F3N2O3 — CID 1112277

IUPAC(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13F3N2O3/c1-10(23-16(25)11-6-2-3-7-12(11)17(23)26)15(24)22-14-9-5-4-8-13(14)18(19,20)21/h2-10H,1H3,(H,22,24)/t10-/m0/s1
InChIKeyKODVFNUJIASEPR-JTQLQIEISA-N
MW362.31 g/mol
LogP3.33
Rot. Bonds3

About (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide

(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (PubChem CID 1112277) has the molecular formula C18H13F3N2O3 and a molecular weight of 362.31 g/mol. Its IUPAC name is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.

Molecular Properties

Compound Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
PubChem CID1112277
Molecular FormulaC18H13F3N2O3
Molecular Weight362.31 g/mol
Exact Mass362.09
IUPAC Name(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
SMILESC[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H13F3N2O3/c1-10(23-16(25)11-6-2-3-7-12(11)17(23)26)15(24)22-14-9-5-4-8-13(14)18(19,20)21/h2-10H,1H3,(H,22,24)/t10-/m0/s1
InChIKeyKODVFNUJIASEPR-JTQLQIEISA-N
XLogP3.33
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.31
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(1,3-dioxoisoindol-2-yl)-3-methyl-N-[2-(trifluoromethyl)phenyl]butanamide
CID 1112265
N-(2-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 3109173
2-(1,3-dioxoisoindol-2-yl)-N-(2-phenylphenyl)propanamide
CID 16546107
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-naphthalen-1-ylpropanamide
CID 738623
2-(1,3-dioxoisoindol-2-yl)-N-(2-methoxyphenyl)propanamide
CID 2787226
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-phenylpropanamide
CID 767136
N-(2-butan-2-ylphenyl)-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 78699303
(2R)-2-[(1R,2S,6R,7R,8S,10S)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]-N-[2-(trifluoromethyl)phenyl]propanamide
CID 98279467
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 24506631
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(2-pyrrolidin-1-ylphenyl)propanamide
CID 39911850
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 23409757
[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1,3-dioxo-2-[(2S)-1-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethoxy]propan-2-yl]isoindole-5-carboxylate
CID 99656995

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The IUPAC name of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide (CID 1112277) is (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide.
What is the SMILES notation for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The canonical SMILES for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)N1C(=O)c2ccccc2C1=O.
What is the InChIKey of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
The InChIKey is KODVFNUJIASEPR-JTQLQIEISA-N. The full InChI is InChI=1S/C18H13F3N2O3/c1-10(23-16(25)11-6-2-3-7-12(11)17(23)26)15(24)22-14-9-5-4-8-13(14)18(19,20)21/h2-10H,1H3,(H,22,24)/t10-/m0/s1.
What are the key properties of (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide?
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide has a molecular weight of 362.31 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1,3-dioxoisoindol-2-yl)-N-[2-(trifluoromethyl)phenyl]propanamide is sourced from PubChem (CID 1112277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).