(2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C24H30F2N4O4 — CID 166510601

IUPAC(2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1cccc2c1CN(C(=O)C[C@@H]1C[C@@H](C(=O)N3CC(F)(F)C[C@H]3C(N)=O)NC1=O)C2
InChIInChI=1S/C24H30F2N4O4/c1-13(2)6-14-4-3-5-15-10-29(11-17(14)15)20(31)8-16-7-18(28-22(16)33)23(34)30-12-24(25,26)9-19(30)21(27)32/h3-5,13,16,18-19H,6-12H2,1-2H3,(H2,27,32)(H,28,33)/t16-,18-,19-/m0/s1
InChIKeyHURVWBRLMFZXEW-WDSOQIARSA-N
MW476.52 g/mol
LogP1.34
Rot. Bonds6

About (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

(2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 166510601) has the molecular formula C24H30F2N4O4 and a molecular weight of 476.52 g/mol. Its IUPAC name is (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID166510601
Molecular FormulaC24H30F2N4O4
Molecular Weight476.52 g/mol
Exact Mass476.22
IUPAC Name(2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCC(C)Cc1cccc2c1CN(C(=O)C[C@@H]1C[C@@H](C(=O)N3CC(F)(F)C[C@H]3C(N)=O)NC1=O)C2
InChIInChI=1S/C24H30F2N4O4/c1-13(2)6-14-4-3-5-15-10-29(11-17(14)15)20(31)8-16-7-18(28-22(16)33)23(34)30-12-24(25,26)9-19(30)21(27)32/h3-5,13,16,18-19H,6-12H2,1-2H3,(H2,27,32)(H,28,33)/t16-,18-,19-/m0/s1
InChIKeyHURVWBRLMFZXEW-WDSOQIARSA-N
XLogP1.34
TPSA112.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.52
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 166510601) is (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is CC(C)Cc1cccc2c1CN(C(=O)C[C@@H]1C[C@@H](C(=O)N3CC(F)(F)C[C@H]3C(N)=O)NC1=O)C2.
What is the InChIKey of (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is HURVWBRLMFZXEW-WDSOQIARSA-N. The full InChI is InChI=1S/C24H30F2N4O4/c1-13(2)6-14-4-3-5-15-10-29(11-17(14)15)20(31)8-16-7-18(28-22(16)33)23(34)30-12-24(25,26)9-19(30)21(27)32/h3-5,13,16,18-19H,6-12H2,1-2H3,(H2,27,32)(H,28,33)/t16-,18-,19-/m0/s1.
What are the key properties of (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
(2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 476.52 g/mol, XLogP of 1.34, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4,4-difluoro-1-[(2S,4S)-4-[2-[4-(2-methylpropyl)-1,3-dihydroisoindol-2-yl]-2-oxoethyl]-5-oxopyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 166510601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).