3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide

C28H32Cl2N2O3 — CID 142006317

About 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide

3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide (PubChem CID 142006317) has the molecular formula C28H32Cl2N2O3 and a molecular weight of 515.48 g/mol. Its IUPAC name is 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide.

Molecular Properties

• Compound Name: 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
• PubChem CID: 142006317
• Molecular Formula: C28H32Cl2N2O3
• Molecular Weight: 515.48 g/mol
• Exact Mass: 514.18
• IUPAC Name: 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
• SMILES: COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)cc1OCCN(C(C)C)C(C)C
• InChI: InChI=1S/C28H32Cl2N2O3/c1-18(2)32(19(3)4)14-15-35-27-17-21(11-13-26(27)34-5)31-28(33)20-10-12-23(25(30)16-20)22-8-6-7-9-24(22)29/h6-13,16-19H,14-15H2,1-5H3,(H,31,33)
• InChIKey: KOBKHAXPRCKGGJ-UHFFFAOYSA-N
• XLogP: 7.42
• TPSA: 50.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	515.48
LogP ≤ 5	7.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide?

The IUPAC name of 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide (CID 142006317) is 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide.

What is the SMILES notation for 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide?

The canonical SMILES for 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3ccccc3Cl)c(Cl)c2)cc1OCCN(C(C)C)C(C)C.

What is the InChIKey of 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide?

The InChIKey is KOBKHAXPRCKGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32Cl2N2O3/c1-18(2)32(19(3)4)14-15-35-27-17-21(11-13-26(27)34-5)31-28(33)20-10-12-23(25(30)16-20)22-8-6-7-9-24(22)29/h6-13,16-19H,14-15H2,1-5H3,(H,31,33).

What are the key properties of 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide?

3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide has a molecular weight of 515.48 g/mol, XLogP of 7.42, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-chloro-4-(2-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 142006317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).