methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate

C32H25ClN2O5 — CID 20602830

About methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate

methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate (PubChem CID 20602830) has the molecular formula C32H25ClN2O5 and a molecular weight of 553.01 g/mol. Its IUPAC name is methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate.

Molecular Properties

• Compound Name: methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
• PubChem CID: 20602830
• Molecular Formula: C32H25ClN2O5
• Molecular Weight: 553.01 g/mol
• Exact Mass: 552.15
• IUPAC Name: methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate
• SMILES: COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)nc1
• InChI: InChI=1S/C32H25ClN2O5/c1-38-32(37)28-4-2-3-5-29(28)35-30(36)16-22-8-15-31(34-19-22)40-27-14-10-23-17-26(13-9-24(23)18-27)39-20-21-6-11-25(33)12-7-21/h2-15,17-19H,16,20H2,1H3,(H,35,36)
• InChIKey: FXQHTIXGOFYQTG-UHFFFAOYSA-N
• XLogP: 7.23
• TPSA: 86.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	553.01
LogP ≤ 5	7.23
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate?

The IUPAC name of methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate (CID 20602830) is methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate.

What is the SMILES notation for methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate?

The canonical SMILES for methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate is COC(=O)c1ccccc1NC(=O)Cc1ccc(Oc2ccc3cc(OCc4ccc(Cl)cc4)ccc3c2)nc1.

What is the InChIKey of methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate?

The InChIKey is FXQHTIXGOFYQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN2O5/c1-38-32(37)28-4-2-3-5-29(28)35-30(36)16-22-8-15-31(34-19-22)40-27-14-10-23-17-26(13-9-24(23)18-27)39-20-21-6-11-25(33)12-7-21/h2-15,17-19H,16,20H2,1H3,(H,35,36).

What are the key properties of methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate?

methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate has a molecular weight of 553.01 g/mol, XLogP of 7.23, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 2-[[2-[6-[6-[(4-chlorophenyl)methoxy]naphthalen-2-yl]oxy-3-pyridinyl]acetyl]amino]benzoate is sourced from PubChem (CID 20602830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).