2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

C22H31FN4O3 — CID 7415044

About 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide

2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (PubChem CID 7415044) has the molecular formula C22H31FN4O3 and a molecular weight of 418.51 g/mol. Its IUPAC name is 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

Molecular Properties

• Compound Name: 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• PubChem CID: 7415044
• Molecular Formula: C22H31FN4O3
• Molecular Weight: 418.51 g/mol
• Exact Mass: 418.24
• IUPAC Name: 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
• SMILES: CC[C@@H](C)N(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1cccc(F)c1
• InChI: InChI=1S/C22H31FN4O3/c1-5-17(2)27(22(29)24-19-9-6-8-18(23)14-19)16-21(28)26(12-13-30-4)15-20-10-7-11-25(20)3/h6-11,14,17H,5,12-13,15-16H2,1-4H3,(H,24,29)/t17-/m1/s1
• InChIKey: GPIPFRRZLOZEMK-QGZVFWFLSA-N
• XLogP: 3.47
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.51
LogP ≤ 5	3.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The IUPAC name of 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide (CID 7415044) is 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide.

What is the SMILES notation for 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The canonical SMILES for 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is CC[C@@H](C)N(CC(=O)N(CCOC)Cc1cccn1C)C(=O)Nc1cccc(F)c1.

What is the InChIKey of 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

The InChIKey is GPIPFRRZLOZEMK-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H31FN4O3/c1-5-17(2)27(22(29)24-19-9-6-8-18(23)14-19)16-21(28)26(12-13-30-4)15-20-10-7-11-25(20)3/h6-11,14,17H,5,12-13,15-16H2,1-4H3,(H,24,29)/t17-/m1/s1.

What are the key properties of 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide?

2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide has a molecular weight of 418.51 g/mol, XLogP of 3.47, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[(2R)-butan-2-yl]-[(3-fluorophenyl)carbamoyl]amino]-N-(2-methoxyethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide is sourced from PubChem (CID 7415044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).