3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide

C26H21Cl2F2N3O3 — CID 150558628

About 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide

3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide (PubChem CID 150558628) has the molecular formula C26H21Cl2F2N3O3 and a molecular weight of 532.37 g/mol. Its IUPAC name is 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide.

Molecular Properties

• Compound Name: 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide
• PubChem CID: 150558628
• Molecular Formula: C26H21Cl2F2N3O3
• Molecular Weight: 532.37 g/mol
• Exact Mass: 531.09
• IUPAC Name: 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide
• SMILES: COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1
• InChI: InChI=1S/C26H21Cl2F2N3O3/c1-35-25-19(11-16(27)12-20(25)28)26(34)32-22-10-15(14-31)2-4-23(22)33-8-6-18(7-9-33)36-24-5-3-17(29)13-21(24)30/h2-5,10-13,18H,6-9H2,1H3,(H,32,34)
• InChIKey: IJJHYDKPEOJCJN-UHFFFAOYSA-N
• XLogP: 6.45
• TPSA: 74.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.37
LogP ≤ 5	6.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide?

The IUPAC name of 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide (CID 150558628) is 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide.

What is the SMILES notation for 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide?

The canonical SMILES for 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide is COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C#N)ccc1N1CCC(Oc2ccc(F)cc2F)CC1.

What is the InChIKey of 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide?

The InChIKey is IJJHYDKPEOJCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2F2N3O3/c1-35-25-19(11-16(27)12-20(25)28)26(34)32-22-10-15(14-31)2-4-23(22)33-8-6-18(7-9-33)36-24-5-3-17(29)13-21(24)30/h2-5,10-13,18H,6-9H2,1H3,(H,32,34).

What are the key properties of 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide?

3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide has a molecular weight of 532.37 g/mol, XLogP of 6.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dichloro-N-[5-cyano-2-[4-(2,4-difluorophenoxy)piperidin-1-yl]phenyl]-2-methoxybenzamide is sourced from PubChem (CID 150558628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).