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

C28H32Cl2N2O3 — CID 142006320

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

2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide (PubChem CID 142006320) has the molecular formula C28H32Cl2N2O3 and a molecular weight of 515.48 g/mol. Its IUPAC name is 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide.

Molecular Properties

• Compound Name: 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
• PubChem CID: 142006320
• Molecular Formula: C28H32Cl2N2O3
• Molecular Weight: 515.48 g/mol
• Exact Mass: 514.18
• IUPAC Name: 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide
• SMILES: COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)cc2Cl)cc1OCCN(C(C)C)C(C)C
• InChI: InChI=1S/C28H32Cl2N2O3/c1-18(2)32(19(3)4)13-14-35-27-17-23(10-12-26(27)34-5)31-28(33)24-11-9-21(16-25(24)30)20-7-6-8-22(29)15-20/h6-12,15-19H,13-14H2,1-5H3,(H,31,33)
• InChIKey: NLTROZJTEYTKRH-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 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide?

The IUPAC name of 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide (CID 142006320) is 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide.

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

The canonical SMILES for 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide is COc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)cc2Cl)cc1OCCN(C(C)C)C(C)C.

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

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

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

2-chloro-4-(3-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 2-chloro-4-(3-chlorophenyl)-N-[3-[2-[di(propan-2-yl)amino]ethoxy]-4-methoxyphenyl]benzamide is sourced from PubChem (CID 142006320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).