3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide

C23H25F2N3O3 — CID 67306096

About 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide

3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 67306096) has the molecular formula C23H25F2N3O3 and a molecular weight of 429.47 g/mol. Its IUPAC name is 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

• Compound Name: 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
• PubChem CID: 67306096
• Molecular Formula: C23H25F2N3O3
• Molecular Weight: 429.47 g/mol
• Exact Mass: 429.19
• IUPAC Name: 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide
• SMILES: COC[C@H](C)Oc1cc(CCc2cccc(F)c2F)cc(C(=O)Nc2ccn(C)n2)c1
• InChI: InChI=1S/C23H25F2N3O3/c1-15(14-30-3)31-19-12-16(7-8-17-5-4-6-20(24)22(17)25)11-18(13-19)23(29)26-21-9-10-28(2)27-21/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,26,27,29)/t15-/m0/s1
• InChIKey: CHCXQWQDRFRNKY-HNNXBMFYSA-N
• XLogP: 4.15
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.47
LogP ≤ 5	4.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide?

The IUPAC name of 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide (CID 67306096) is 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide.

What is the SMILES notation for 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide?

The canonical SMILES for 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide is COC[C@H](C)Oc1cc(CCc2cccc(F)c2F)cc(C(=O)Nc2ccn(C)n2)c1.

What is the InChIKey of 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide?

The InChIKey is CHCXQWQDRFRNKY-HNNXBMFYSA-N. The full InChI is InChI=1S/C23H25F2N3O3/c1-15(14-30-3)31-19-12-16(7-8-17-5-4-6-20(24)22(17)25)11-18(13-19)23(29)26-21-9-10-28(2)27-21/h4-6,9-13,15H,7-8,14H2,1-3H3,(H,26,27,29)/t15-/m0/s1.

What are the key properties of 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide?

3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 429.47 g/mol, XLogP of 4.15, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(2,3-difluorophenyl)ethyl]-5-[(2S)-1-methoxypropan-2-yl]oxy-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 67306096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).