3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

C25H24F3N3O3 — CID 95352780

IUPAC3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N3O3/c1-16-19-8-2-3-9-20(19)24(34)31(16)13-11-22(32)29-21(15-30-12-5-10-23(30)33)17-6-4-7-18(14-17)25(26,27)28/h2-4,6-9,14,21H,1,5,10-13,15H2,(H,29,32)/t21-/m1/s1
InChIKeyMCHSUQFVZCYARA-OAQYLSRUSA-N
MW471.48 g/mol
LogP4.00
Rot. Bonds7

About 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide

3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (PubChem CID 95352780) has the molecular formula C25H24F3N3O3 and a molecular weight of 471.48 g/mol. Its IUPAC name is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.

Molecular Properties

Compound Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
PubChem CID95352780
Molecular FormulaC25H24F3N3O3
Molecular Weight471.48 g/mol
Exact Mass471.18
IUPAC Name3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
SMILESC=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C25H24F3N3O3/c1-16-19-8-2-3-9-20(19)24(34)31(16)13-11-22(32)29-21(15-30-12-5-10-23(30)33)17-6-4-7-18(14-17)25(26,27)28/h2-4,6-9,14,21H,1,5,10-13,15H2,(H,29,32)/t21-/m1/s1
InChIKeyMCHSUQFVZCYARA-OAQYLSRUSA-N
XLogP4.00
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 94118050
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3-(furan-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51948079
N-[2-oxo-2-[[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]ethyl]benzamide
CID 86966069
2-(2-chlorophenyl)sulfanyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 42961750
2-(3-oxo-1,4-benzoxazin-4-yl)-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 55714605
(2R)-2-methylsulfanyl-N-[(1R)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 51953556
1-methyl-2-oxo-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-4-carboxamide
CID 51948068
N-[3,5-bis(trifluoromethyl)phenyl]-3-(1-methylidene-3-oxoisoindol-2-yl)propanamide
CID 16590769
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-pyrrol-1-ylbenzamide
CID 55714604
N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,3,4-tetrahydronaphthalene-1-carboxamide
CID 55714480
4-methyl-N-[2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]-1,3-thiazole-5-carboxamide
CID 47036069

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The IUPAC name of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide (CID 95352780) is 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide.
What is the SMILES notation for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The canonical SMILES for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](CN1CCCC1=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
The InChIKey is MCHSUQFVZCYARA-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H24F3N3O3/c1-16-19-8-2-3-9-20(19)24(34)31(16)13-11-22(32)29-21(15-30-12-5-10-23(30)33)17-6-4-7-18(14-17)25(26,27)28/h2-4,6-9,14,21H,1,5,10-13,15H2,(H,29,32)/t21-/m1/s1.
What are the key properties of 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide?
3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide has a molecular weight of 471.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylidene-3-oxoisoindol-2-yl)-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide is sourced from PubChem (CID 95352780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).