3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide

C29H34Cl2N4O5 — CID 142075054

About 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide

3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide (PubChem CID 142075054) has the molecular formula C29H34Cl2N4O5 and a molecular weight of 589.52 g/mol. Its IUPAC name is 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide.

Molecular Properties

• Compound Name: 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
• PubChem CID: 142075054
• Molecular Formula: C29H34Cl2N4O5
• Molecular Weight: 589.52 g/mol
• Exact Mass: 588.19
• IUPAC Name: 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide
• SMILES: CNC(=O)[C@@H](NC(=O)C(CC(=O)NO)Cc1ccc2ccccc2c1)C(C)(C)C.NC(=O)c1cc(Cl)cc(Cl)c1
• InChI: InChI=1S/C22H29N3O4.C7H5Cl2NO/c1-22(2,3)19(21(28)23-4)24-20(27)17(13-18(26)25-29)12-14-9-10-15-7-5-6-8-16(15)11-14;8-5-1-4(7(10)11)2-6(9)3-5/h5-11,17,19,29H,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,26);1-3H,(H2,10,11)/t17?,19-;/m1./s1
• InChIKey: PRGJKXWWSQDWPM-PZBUXUTESA-N
• XLogP: 4.26
• TPSA: 150.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	589.52
LogP ≤ 5	4.26
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?

The IUPAC name of 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide (CID 142075054) is 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide.

What is the SMILES notation for 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?

The canonical SMILES for 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide is CNC(=O)[C@@H](NC(=O)C(CC(=O)NO)Cc1ccc2ccccc2c1)C(C)(C)C.NC(=O)c1cc(Cl)cc(Cl)c1.

What is the InChIKey of 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?

The InChIKey is PRGJKXWWSQDWPM-PZBUXUTESA-N. The full InChI is InChI=1S/C22H29N3O4.C7H5Cl2NO/c1-22(2,3)19(21(28)23-4)24-20(27)17(13-18(26)25-29)12-14-9-10-15-7-5-6-8-16(15)11-14;8-5-1-4(7(10)11)2-6(9)3-5/h5-11,17,19,29H,12-13H2,1-4H3,(H,23,28)(H,24,27)(H,25,26);1-3H,(H2,10,11)/t17?,19-;/m1./s1.

What are the key properties of 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide?

3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide has a molecular weight of 589.52 g/mol, XLogP of 4.26, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichlorobenzamide;N-[(2S)-3,3-dimethyl-1-(methylamino)-1-oxobutan-2-yl]-N'-hydroxy-2-(naphthalen-2-ylmethyl)butanediamide is sourced from PubChem (CID 142075054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).