4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

C19H23ClN4O2 — CID 153288994

About 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide

4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (PubChem CID 153288994) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

Molecular Properties

• Compound Name: 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
• PubChem CID: 153288994
• Molecular Formula: C19H23ClN4O2
• Molecular Weight: 374.87 g/mol
• Exact Mass: 374.15
• IUPAC Name: 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide
• SMILES: CCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(n3cc(CO)nn3)CC21
• InChI: InChI=1S/C19H23ClN4O2/c1-2-17(21-19(26)11-3-5-12(20)6-4-11)18-15-7-14(8-16(15)18)24-9-13(10-25)22-23-24/h3-6,9,14-18,25H,2,7-8,10H2,1H3,(H,21,26)
• InChIKey: HQPBNTXSKNSACJ-UHFFFAOYSA-N
• XLogP: 2.83
• TPSA: 80.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.87
LogP ≤ 5	2.83
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?

The IUPAC name of 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide (CID 153288994) is 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide.

What is the SMILES notation for 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?

The canonical SMILES for 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is CCC(NC(=O)c1ccc(Cl)cc1)C1C2CC(n3cc(CO)nn3)CC21.

What is the InChIKey of 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?

The InChIKey is HQPBNTXSKNSACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-2-17(21-19(26)11-3-5-12(20)6-4-11)18-15-7-14(8-16(15)18)24-9-13(10-25)22-23-24/h3-6,9,14-18,25H,2,7-8,10H2,1H3,(H,21,26).

What are the key properties of 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide?

4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide has a molecular weight of 374.87 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[1-[3-[4-(hydroxymethyl)triazol-1-yl]-6-bicyclo[3.1.0]hexanyl]propyl]benzamide is sourced from PubChem (CID 153288994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).