N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide

C26H29ClFN3O4 — CID 11634752

About N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide

N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide (PubChem CID 11634752) has the molecular formula C26H29ClFN3O4 and a molecular weight of 501.99 g/mol. Its IUPAC name is N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide.

Molecular Properties

• Compound Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide
• PubChem CID: 11634752
• Molecular Formula: C26H29ClFN3O4
• Molecular Weight: 501.99 g/mol
• Exact Mass: 501.18
• IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide
• SMILES: C[C@H](Cc1cccc(CC(=O)NCc2c(F)cccc2Cl)c1)NCC(O)c1ccc(O)c(CO)n1
• InChI: InChI=1S/C26H29ClFN3O4/c1-16(29-14-25(34)22-8-9-24(33)23(15-32)31-22)10-17-4-2-5-18(11-17)12-26(35)30-13-19-20(27)6-3-7-21(19)28/h2-9,11,16,25,29,32-34H,10,12-15H2,1H3,(H,30,35)/t16-,25?/m1/s1
• InChIKey: WBESWOYDWWNWOE-ZRTDVJLTSA-N
• XLogP: 3.19
• TPSA: 114.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 11
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.99
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide?

The IUPAC name of N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide (CID 11634752) is N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide.

What is the SMILES notation for N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide?

The canonical SMILES for N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide is C[C@H](Cc1cccc(CC(=O)NCc2c(F)cccc2Cl)c1)NCC(O)c1ccc(O)c(CO)n1.

What is the InChIKey of N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide?

The InChIKey is WBESWOYDWWNWOE-ZRTDVJLTSA-N. The full InChI is InChI=1S/C26H29ClFN3O4/c1-16(29-14-25(34)22-8-9-24(33)23(15-32)31-22)10-17-4-2-5-18(11-17)12-26(35)30-13-19-20(27)6-3-7-21(19)28/h2-9,11,16,25,29,32-34H,10,12-15H2,1H3,(H,30,35)/t16-,25?/m1/s1.

What are the key properties of N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide?

N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide has a molecular weight of 501.99 g/mol, XLogP of 3.19, 11 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-chloro-6-fluorophenyl)methyl]-2-[3-[(2R)-2-[[2-hydroxy-2-[5-hydroxy-6-(hydroxymethyl)-2-pyridinyl]ethyl]amino]propyl]phenyl]acetamide is sourced from PubChem (CID 11634752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).