N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide

C85H102Cl9N9O7 — CID 87518334

About N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide

N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide (PubChem CID 87518334) has the molecular formula C85H102Cl9N9O7 and a molecular weight of 1680.88 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide.

Molecular Properties

• Compound Name: N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide
• PubChem CID: 87518334
• Molecular Formula: C85H102Cl9N9O7
• Molecular Weight: 1680.88 g/mol
• Exact Mass: 1675.51
• IUPAC Name: N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide
• SMILES: CC(CCN1CCC(N2CCCC2=O)CC1)(C(=O)NC(CO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.Cc1ccc(CN(C)C(=O)C(C)(c2ccc(Cl)c(Cl)c2)C(CN2CCC(N3CCCC3=O)CC2)C(CC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)N2CCC(N3CCCC3=O)CC2)cc1
• InChI: InChI=1S/C57H69Cl5N6O4.C28H33Cl4N3O3/c1-38-14-16-39(17-15-38)35-63(4)55(72)57(3,42-19-21-48(60)50(62)33-42)45(37-65-28-22-43(23-29-65)67-26-8-12-52(67)69)51(66-30-24-44(25-31-66)68-27-9-13-53(68)70)34-56(2,41-18-20-47(59)49(61)32-41)54(71)64(5)36-40-10-6-7-11-46(40)58;1-28(19-5-7-22(30)24(32)16-19,27(38)33-25(17-36)18-4-6-21(29)23(31)15-18)10-14-34-12-8-20(9-13-34)35-11-2-3-26(35)37/h6-7,10-11,14-21,32-33,43-45,51H,8-9,12-13,22-31,34-37H2,1-5H3;4-7,15-16,20,25,36H,2-3,8-14,17H2,1H3,(H,33,38)
• InChIKey: NFVOKHONMKJXSY-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 160.60 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 26
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1680.88
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide?

The IUPAC name of N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide (CID 87518334) is N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide.

What is the SMILES notation for N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide?

The canonical SMILES for N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide is CC(CCN1CCC(N2CCCC2=O)CC1)(C(=O)NC(CO)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1.Cc1ccc(CN(C)C(=O)C(C)(c2ccc(Cl)c(Cl)c2)C(CN2CCC(N3CCCC3=O)CC2)C(CC(C)(C(=O)N(C)Cc2ccccc2Cl)c2ccc(Cl)c(Cl)c2)N2CCC(N3CCCC3=O)CC2)cc1.

What is the InChIKey of N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide?

The InChIKey is NFVOKHONMKJXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H69Cl5N6O4.C28H33Cl4N3O3/c1-38-14-16-39(17-15-38)35-63(4)55(72)57(3,42-19-21-48(60)50(62)33-42)45(37-65-28-22-43(23-29-65)67-26-8-12-52(67)69)51(66-30-24-44(25-31-66)68-27-9-13-53(68)70)34-56(2,41-18-20-47(59)49(61)32-41)54(71)64(5)36-40-10-6-7-11-46(40)58;1-28(19-5-7-22(30)24(32)16-19,27(38)33-25(17-36)18-4-6-21(29)23(31)15-18)10-14-34-12-8-20(9-13-34)35-11-2-3-26(35)37/h6-7,10-11,14-21,32-33,43-45,51H,8-9,12-13,22-31,34-37H2,1-5H3;4-7,15-16,20,25,36H,2-3,8-14,17H2,1H3,(H,33,38).

What are the key properties of N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide?

N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide has a molecular weight of 1680.88 g/mol, XLogP of 17.23, 26 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[(2-chlorophenyl)methyl]-2,6-bis(3,4-dichlorophenyl)-N,N',2,6-tetramethyl-N-[(4-methylphenyl)methyl]-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]-3-[[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]methyl]heptanediamide;2-(3,4-dichlorophenyl)-N-[1-(3,4-dichlorophenyl)-2-hydroxyethyl]-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butanamide is sourced from PubChem (CID 87518334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).