N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide

C29H30Cl2N4O3 — CID 150596245

About N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide

N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide (PubChem CID 150596245) has the molecular formula C29H30Cl2N4O3 and a molecular weight of 553.49 g/mol. Its IUPAC name is N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide.

Molecular Properties

• Compound Name: N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide
• PubChem CID: 150596245
• Molecular Formula: C29H30Cl2N4O3
• Molecular Weight: 553.49 g/mol
• Exact Mass: 552.17
• IUPAC Name: N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide
• SMILES: CC(=O)C(N)CNC(=O)c1ccc(C(C)C)cc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21
• InChI: InChI=1S/C29H30Cl2N4O3/c1-16(2)19-7-9-22(27(37)33-15-24(32)17(3)36)25(12-19)35-29(14-18-5-4-6-20(30)11-18)23-10-8-21(31)13-26(23)34-28(29)38/h4-13,16,24,35H,14-15,32H2,1-3H3,(H,33,37)(H,34,38)
• InChIKey: RJSKQDLOJYQKLU-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 113.32 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.49
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide?

The IUPAC name of N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide (CID 150596245) is N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide.

What is the SMILES notation for N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide?

The canonical SMILES for N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide is CC(=O)C(N)CNC(=O)c1ccc(C(C)C)cc1NC1(Cc2cccc(Cl)c2)C(=O)Nc2cc(Cl)ccc21.

What is the InChIKey of N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide?

The InChIKey is RJSKQDLOJYQKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30Cl2N4O3/c1-16(2)19-7-9-22(27(37)33-15-24(32)17(3)36)25(12-19)35-29(14-18-5-4-6-20(30)11-18)23-10-8-21(31)13-26(23)34-28(29)38/h4-13,16,24,35H,14-15,32H2,1-3H3,(H,33,37)(H,34,38).

What are the key properties of N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide?

N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide has a molecular weight of 553.49 g/mol, XLogP of 5.27, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-(2-amino-3-oxobutyl)-2-[[6-chloro-3-[(3-chlorophenyl)methyl]-2-oxo-1H-indol-3-yl]amino]-4-propan-2-ylbenzamide is sourced from PubChem (CID 150596245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).