N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide

C21H20Cl2N2O — CID 92762404

About N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide

N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide (PubChem CID 92762404) has the molecular formula C21H20Cl2N2O and a molecular weight of 387.31 g/mol. Its IUPAC name is N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
• PubChem CID: 92762404
• Molecular Formula: C21H20Cl2N2O
• Molecular Weight: 387.31 g/mol
• Exact Mass: 386.10
• IUPAC Name: N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1CC(=O)N[C@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1
• InChI: InChI=1S/C21H20Cl2N2O/c1-12-4-2-3-5-13(12)8-20(26)24-15-6-7-18-16(11-15)21-17(23)9-14(22)10-19(21)25-18/h2-5,9-10,15,25H,6-8,11H2,1H3,(H,24,26)/t15-/m0/s1
• InChIKey: LKOLQOGWCIZEQY-HNNXBMFYSA-N
• XLogP: 5.00
• TPSA: 44.89 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.31
LogP ≤ 5	5.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide?

The IUPAC name of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide (CID 92762404) is N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide.

What is the SMILES notation for N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide?

The canonical SMILES for N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide is Cc1ccccc1CC(=O)N[C@H]1CCc2[nH]c3cc(Cl)cc(Cl)c3c2C1.

What is the InChIKey of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide?

The InChIKey is LKOLQOGWCIZEQY-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20Cl2N2O/c1-12-4-2-3-5-13(12)8-20(26)24-15-6-7-18-16(11-15)21-17(23)9-14(22)10-19(21)25-18/h2-5,9-10,15,25H,6-8,11H2,1H3,(H,24,26)/t15-/m0/s1.

What are the key properties of N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide?

N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide has a molecular weight of 387.31 g/mol, XLogP of 5.00, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-5,7-dichloro-2,3,4,9-tetrahydro-1H-carbazol-3-yl]-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 92762404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).