N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide

C60H68Cl2N4O10 — CID 88928311

About N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide

N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide (PubChem CID 88928311) has the molecular formula C60H68Cl2N4O10 and a molecular weight of 1076.13 g/mol. Its IUPAC name is N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide.

Molecular Properties

• Compound Name: N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide
• PubChem CID: 88928311
• Molecular Formula: C60H68Cl2N4O10
• Molecular Weight: 1076.13 g/mol
• Exact Mass: 1074.43
• IUPAC Name: N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide
• SMILES: CCCCC(CC)COc1cc(OC)c(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4ccc(NC(=O)c5ccc(NC(=O)c6cc(OC)c(OCC(CC)CCCC)cc6OC)cc5)c(Cl)c4)cc3Cl)cc2)cc1OC
• InChI: InChI=1S/C60H68Cl2N4O10/c1-9-13-15-37(11-3)35-75-55-33-51(71-5)45(31-53(55)73-7)59(69)63-43-23-17-39(18-24-43)57(67)65-49-27-21-41(29-47(49)61)42-22-28-50(48(62)30-42)66-58(68)40-19-25-44(26-20-40)64-60(70)46-32-54(74-8)56(34-52(46)72-6)76-36-38(12-4)16-14-10-2/h17-34,37-38H,9-16,35-36H2,1-8H3,(H,63,69)(H,64,70)(H,65,67)(H,66,68)
• InChIKey: AEPKVAMTTOYCOA-UHFFFAOYSA-N
• XLogP: 14.89
• TPSA: 171.78 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 10
• Rotatable Bonds: 27
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1076.13
LogP ≤ 5	14.89
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide?

The IUPAC name of N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide (CID 88928311) is N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide.

What is the SMILES notation for N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide?

The canonical SMILES for N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide is CCCCC(CC)COc1cc(OC)c(C(=O)Nc2ccc(C(=O)Nc3ccc(-c4ccc(NC(=O)c5ccc(NC(=O)c6cc(OC)c(OCC(CC)CCCC)cc6OC)cc5)c(Cl)c4)cc3Cl)cc2)cc1OC.

What is the InChIKey of N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide?

The InChIKey is AEPKVAMTTOYCOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H68Cl2N4O10/c1-9-13-15-37(11-3)35-75-55-33-51(71-5)45(31-53(55)73-7)59(69)63-43-23-17-39(18-24-43)57(67)65-49-27-21-41(29-47(49)61)42-22-28-50(48(62)30-42)66-58(68)40-19-25-44(26-20-40)64-60(70)46-32-54(74-8)56(34-52(46)72-6)76-36-38(12-4)16-14-10-2/h17-34,37-38H,9-16,35-36H2,1-8H3,(H,63,69)(H,64,70)(H,65,67)(H,66,68).

What are the key properties of N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide?

N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide has a molecular weight of 1076.13 g/mol, XLogP of 14.89, 27 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[2-chloro-4-[3-chloro-4-[[4-[[4-(2-ethylhexoxy)-2,5-dimethoxybenzoyl]amino]benzoyl]amino]phenyl]phenyl]carbamoyl]phenyl]-4-(2-ethylhexoxy)-2,5-dimethoxybenzamide is sourced from PubChem (CID 88928311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).