N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

C64H68ClF2N13O7 — CID 158300369

About N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one

N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one (PubChem CID 158300369) has the molecular formula C64H68ClF2N13O7 and a molecular weight of 1204.78 g/mol. Its IUPAC name is N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one.

Molecular Properties

• Compound Name: N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
• PubChem CID: 158300369
• Molecular Formula: C64H68ClF2N13O7
• Molecular Weight: 1204.78 g/mol
• Exact Mass: 1203.50
• IUPAC Name: N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one
• SMILES: CCNC(=O)c1ccc(F)cc1.CCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)cc1.CCNC(=O)c1ccc(N2CCNCC2)cc1.O=C(Cl)c1ccc(F)cc1.O=c1[nH]c2cc(CO)cnc2c2cccn12
• InChI: InChI=1S/C24H26N6O2.C13H19N3O.C11H9N3O2.C9H10FNO.C7H4ClFO/c1-2-25-23(31)18-5-7-19(8-6-18)29-12-10-28(11-13-29)16-17-14-20-22(26-15-17)21-4-3-9-30(21)24(32)27-20;1-2-15-13(17)11-3-5-12(6-4-11)16-9-7-14-8-10-16;15-6-7-4-8-10(12-5-7)9-2-1-3-14(9)11(16)13-8;1-2-11-9(12)7-3-5-8(10)6-4-7;8-7(10)5-1-3-6(9)4-2-5/h3-9,14-15H,2,10-13,16H2,1H3,(H,25,31)(H,27,32);3-6,14H,2,7-10H2,1H3,(H,15,17);1-5,15H,6H2,(H,13,16);3-6H,2H2,1H3,(H,11,12);1-4H
• InChIKey: GMKSFNHXZNMZBW-UHFFFAOYSA-N
• XLogP: 7.54
• TPSA: 246.67 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1204.78
LogP ≤ 5	7.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acid_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?

The IUPAC name of N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one (CID 158300369) is N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one.

What is the SMILES notation for N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?

The canonical SMILES for N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one is CCNC(=O)c1ccc(F)cc1.CCNC(=O)c1ccc(N2CCN(Cc3cnc4c(c3)[nH]c(=O)n3cccc43)CC2)cc1.CCNC(=O)c1ccc(N2CCNCC2)cc1.O=C(Cl)c1ccc(F)cc1.O=c1[nH]c2cc(CO)cnc2c2cccn12.

What is the InChIKey of N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?

The InChIKey is GMKSFNHXZNMZBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O2.C13H19N3O.C11H9N3O2.C9H10FNO.C7H4ClFO/c1-2-25-23(31)18-5-7-19(8-6-18)29-12-10-28(11-13-29)16-17-14-20-22(26-15-17)21-4-3-9-30(21)24(32)27-20;1-2-15-13(17)11-3-5-12(6-4-11)16-9-7-14-8-10-16;15-6-7-4-8-10(12-5-7)9-2-1-3-14(9)11(16)13-8;1-2-11-9(12)7-3-5-8(10)6-4-7;8-7(10)5-1-3-6(9)4-2-5/h3-9,14-15H,2,10-13,16H2,1H3,(H,25,31)(H,27,32);3-6,14H,2,7-10H2,1H3,(H,15,17);1-5,15H,6H2,(H,13,16);3-6H,2H2,1H3,(H,11,12);1-4H.

What are the key properties of N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one?

N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one has a molecular weight of 1204.78 g/mol, XLogP of 7.54, 12 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-ethyl-4-fluorobenzamide;N-ethyl-4-[4-[(7-oxo-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-11-yl)methyl]piperazin-1-yl]benzamide;N-ethyl-4-piperazin-1-ylbenzamide;4-fluorobenzoyl chloride;11-(hydroxymethyl)-6,8,13-triazatricyclo[7.4.0.02,6]trideca-1(9),2,4,10,12-pentaen-7-one is sourced from PubChem (CID 158300369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).