2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

C19H20ClFN2O3 — CID 91772588

About 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide

2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (PubChem CID 91772588) has the molecular formula C19H20ClFN2O3 and a molecular weight of 378.83 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
• PubChem CID: 91772588
• Molecular Formula: C19H20ClFN2O3
• Molecular Weight: 378.83 g/mol
• Exact Mass: 378.11
• IUPAC Name: 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide
• SMILES: COc1ccc(C(NC(=O)Cc2c(F)cccc2Cl)C2CC(O)C2)cn1
• InChI: InChI=1S/C19H20ClFN2O3/c1-26-18-6-5-11(10-22-18)19(12-7-13(24)8-12)23-17(25)9-14-15(20)3-2-4-16(14)21/h2-6,10,12-13,19,24H,7-9H2,1H3,(H,23,25)
• InChIKey: KSMVPENAZCJDCG-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 71.45 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.83
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

The IUPAC name of 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide (CID 91772588) is 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide.

What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is COc1ccc(C(NC(=O)Cc2c(F)cccc2Cl)C2CC(O)C2)cn1.

What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

The InChIKey is KSMVPENAZCJDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O3/c1-26-18-6-5-11(10-22-18)19(12-7-13(24)8-12)23-17(25)9-14-15(20)3-2-4-16(14)21/h2-6,10,12-13,19,24H,7-9H2,1H3,(H,23,25).

What are the key properties of 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide?

2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide has a molecular weight of 378.83 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-6-fluorophenyl)-N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91772588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).