2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide

C77H84Cl8N8O6 — CID 23454198

About 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide (PubChem CID 23454198) has the molecular formula C77H84Cl8N8O6 and a molecular weight of 1501.19 g/mol. Its IUPAC name is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide.

Molecular Properties

• Compound Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide
• PubChem CID: 23454198
• Molecular Formula: C77H84Cl8N8O6
• Molecular Weight: 1501.19 g/mol
• Exact Mass: 1496.40
• IUPAC Name: 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide
• SMILES: CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(Cl)c(Nc2[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c2C(c2ccccc2)c2c(Nc3cc(NC(=O)C(CC)Oc4ccc(C(C)(C)CC)cc4C(C)(C)CC)ccc3Cl)[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)c1
• InChI: InChI=1S/C77H84Cl8N8O6/c1-15-59(98-61-32-26-43(74(7,8)17-3)34-49(61)76(11,12)19-5)70(94)86-47-28-30-51(80)57(40-47)88-68-64(72(96)92(90-68)66-53(82)36-45(78)37-54(66)83)63(42-24-22-21-23-25-42)65-69(91-93(73(65)97)67-55(84)38-46(79)39-56(67)85)89-58-41-48(29-31-52(58)81)87-71(95)60(16-2)99-62-33-27-44(75(9,10)18-4)35-50(62)77(13,14)20-6/h21-41,59-60,63,88-91H,15-20H2,1-14H3,(H,86,94)(H,87,95)
• InChIKey: JKPMTYSSRJNNOI-UHFFFAOYSA-N
• XLogP: 22.88
• TPSA: 176.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 99
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1501.19
LogP ≤ 5	22.88
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide?

The IUPAC name of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide (CID 23454198) is 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide.

What is the SMILES notation for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide?

The canonical SMILES for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide is CCC(Oc1ccc(C(C)(C)CC)cc1C(C)(C)CC)C(=O)Nc1ccc(Cl)c(Nc2[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c(=O)c2C(c2ccccc2)c2c(Nc3cc(NC(=O)C(CC)Oc4ccc(C(C)(C)CC)cc4C(C)(C)CC)ccc3Cl)[nH]n(-c3c(Cl)cc(Cl)cc3Cl)c2=O)c1.

What is the InChIKey of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide?

The InChIKey is JKPMTYSSRJNNOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H84Cl8N8O6/c1-15-59(98-61-32-26-43(74(7,8)17-3)34-49(61)76(11,12)19-5)70(94)86-47-28-30-51(80)57(40-47)88-68-64(72(96)92(90-68)66-53(82)36-45(78)37-54(66)83)63(42-24-22-21-23-25-42)65-69(91-93(73(65)97)67-55(84)38-46(79)39-56(67)85)89-58-41-48(29-31-52(58)81)87-71(95)60(16-2)99-62-33-27-44(75(9,10)18-4)35-50(62)77(13,14)20-6/h21-41,59-60,63,88-91H,15-20H2,1-14H3,(H,86,94)(H,87,95).

What are the key properties of 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide?

2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide has a molecular weight of 1501.19 g/mol, XLogP of 22.88, 27 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-N-[3-[[4-[[5-[5-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]-2-chloroanilino]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-4-yl]-phenylmethyl]-3-oxo-2-(2,4,6-trichlorophenyl)-1H-pyrazol-5-yl]amino]-4-chlorophenyl]butanamide is sourced from PubChem (CID 23454198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).