(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide

C24H28Cl2N4O3 — CID 163616314

About (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide

(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide (PubChem CID 163616314) has the molecular formula C24H28Cl2N4O3 and a molecular weight of 491.42 g/mol. Its IUPAC name is (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide.

Molecular Properties

• Compound Name: (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
• PubChem CID: 163616314
• Molecular Formula: C24H28Cl2N4O3
• Molecular Weight: 491.42 g/mol
• Exact Mass: 490.15
• IUPAC Name: (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide
• SMILES: CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O
• InChI: InChI=1S/C24H28Cl2N4O3/c1-24(2,3)11-15(23(33)29-16(12-27)8-14-6-7-28-22(14)32)10-19(31)18-9-13-4-5-17(25)20(26)21(13)30-18/h4-5,9,14-16,30H,6-8,10-11H2,1-3H3,(H,28,32)(H,29,33)/t14-,15-,16-/m0/s1
• InChIKey: HKIDBNCBEGAJLO-JYJNAYRXSA-N
• XLogP: 4.63
• TPSA: 114.85 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.42
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The IUPAC name of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide (CID 163616314) is (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide.

What is the SMILES notation for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The canonical SMILES for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide is CC(C)(C)C[C@H](CC(=O)c1cc2ccc(Cl)c(Cl)c2[nH]1)C(=O)N[C@H](C#N)C[C@@H]1CCNC1=O.

What is the InChIKey of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

The InChIKey is HKIDBNCBEGAJLO-JYJNAYRXSA-N. The full InChI is InChI=1S/C24H28Cl2N4O3/c1-24(2,3)11-15(23(33)29-16(12-27)8-14-6-7-28-22(14)32)10-19(31)18-9-13-4-5-17(25)20(26)21(13)30-18/h4-5,9,14-16,30H,6-8,10-11H2,1-3H3,(H,28,32)(H,29,33)/t14-,15-,16-/m0/s1.

What are the key properties of (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide?

(2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide has a molecular weight of 491.42 g/mol, XLogP of 4.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-N-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-2-[2-(6,7-dichloro-1H-indol-2-yl)-2-oxoethyl]-4,4-dimethylpentanamide is sourced from PubChem (CID 163616314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).