[2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate

C23H22Cl2F3N5O5 — CID 68646348

About [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate

[2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate (PubChem CID 68646348) has the molecular formula C23H22Cl2F3N5O5 and a molecular weight of 576.36 g/mol. Its IUPAC name is [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate.

Molecular Properties

• Compound Name: [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate
• PubChem CID: 68646348
• Molecular Formula: C23H22Cl2F3N5O5
• Molecular Weight: 576.36 g/mol
• Exact Mass: 575.10
• IUPAC Name: [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate
• SMILES: CC(COC(N)=O)(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@@H](O)C(F)(F)F)c1=O)c1ccccc1Cl
• InChI: InChI=1S/C23H22Cl2F3N5O5/c1-22(12-38-20(29)36,15-4-2-3-5-16(15)25)30-18(35)11-33-21(37)32(10-17(34)23(26,27)28)19(31-33)13-6-8-14(24)9-7-13/h2-9,17,34H,10-12H2,1H3,(H2,29,36)(H,30,35)/t17-,22?/m1/s1
• InChIKey: WCGXBQHOQPOFOS-PLEWWHCXSA-N
• XLogP: 3.07
• TPSA: 141.47 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	576.36
LogP ≤ 5	3.07
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate?

The IUPAC name of [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate (CID 68646348) is [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate.

What is the SMILES notation for [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate?

The canonical SMILES for [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate is CC(COC(N)=O)(NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(C[C@@H](O)C(F)(F)F)c1=O)c1ccccc1Cl.

What is the InChIKey of [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate?

The InChIKey is WCGXBQHOQPOFOS-PLEWWHCXSA-N. The full InChI is InChI=1S/C23H22Cl2F3N5O5/c1-22(12-38-20(29)36,15-4-2-3-5-16(15)25)30-18(35)11-33-21(37)32(10-17(34)23(26,27)28)19(31-33)13-6-8-14(24)9-7-13/h2-9,17,34H,10-12H2,1H3,(H2,29,36)(H,30,35)/t17-,22?/m1/s1.

What are the key properties of [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate?

[2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate has a molecular weight of 576.36 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(2-chlorophenyl)-2-[[2-[3-(4-chlorophenyl)-5-oxo-4-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]-1,2,4-triazol-1-yl]acetyl]amino]propyl] carbamate is sourced from PubChem (CID 68646348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).