2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

C19H21N3O3 — CID 7550783

About 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide

2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (PubChem CID 7550783) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

Molecular Properties

• Compound Name: 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• PubChem CID: 7550783
• Molecular Formula: C19H21N3O3
• Molecular Weight: 339.40 g/mol
• Exact Mass: 339.16
• IUPAC Name: 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide
• SMILES: CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccccc21
• InChI: InChI=1S/C19H21N3O3/c1-21(2)18-11-10-14(22(24)25)12-16(18)19(23)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,23)/t17-/m0/s1
• InChIKey: LVJSWDZBQKSOLB-KRWDZBQOSA-N
• XLogP: 3.47
• TPSA: 75.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	339.40
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The IUPAC name of 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide (CID 7550783) is 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide.

What is the SMILES notation for 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The canonical SMILES for 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is CN(C)c1ccc([N+](=O)[O-])cc1C(=O)N[C@H]1CCCc2ccccc21.

What is the InChIKey of 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

The InChIKey is LVJSWDZBQKSOLB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-21(2)18-11-10-14(22(24)25)12-16(18)19(23)20-17-9-5-7-13-6-3-4-8-15(13)17/h3-4,6,8,10-12,17H,5,7,9H2,1-2H3,(H,20,23)/t17-/m0/s1.

What are the key properties of 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide?

2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide has a molecular weight of 339.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)-5-nitro-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]benzamide is sourced from PubChem (CID 7550783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).