2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide

C24H28F2N4O4 — CID 30779690

About 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide

2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide (PubChem CID 30779690) has the molecular formula C24H28F2N4O4 and a molecular weight of 474.51 g/mol. Its IUPAC name is 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide.

Molecular Properties

• Compound Name: 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
• PubChem CID: 30779690
• Molecular Formula: C24H28F2N4O4
• Molecular Weight: 474.51 g/mol
• Exact Mass: 474.21
• IUPAC Name: 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide
• SMILES: CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1
• InChI: InChI=1S/C24H28F2N4O4/c1-15(2)22(29-23(32)21-18(25)4-3-5-19(21)26)24(33)28-17-8-6-16(7-9-17)27-20(31)14-30-10-12-34-13-11-30/h3-9,15,22H,10-14H2,1-2H3,(H,27,31)(H,28,33)(H,29,32)/t22-/m0/s1
• InChIKey: DPBSQZIYBVDTIS-QFIPXVFZSA-N
• XLogP: 2.63
• TPSA: 99.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	474.51
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide?

The IUPAC name of 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide (CID 30779690) is 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide.

What is the SMILES notation for 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide?

The canonical SMILES for 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide is CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1.

What is the InChIKey of 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide?

The InChIKey is DPBSQZIYBVDTIS-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H28F2N4O4/c1-15(2)22(29-23(32)21-18(25)4-3-5-19(21)26)24(33)28-17-8-6-16(7-9-17)27-20(31)14-30-10-12-34-13-11-30/h3-9,15,22H,10-14H2,1-2H3,(H,27,31)(H,28,33)(H,29,32)/t22-/m0/s1.

What are the key properties of 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide?

2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide has a molecular weight of 474.51 g/mol, XLogP of 2.63, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,6-difluoro-N-[(2S)-3-methyl-1-[4-[(2-morpholin-4-ylacetyl)amino]anilino]-1-oxobutan-2-yl]benzamide is sourced from PubChem (CID 30779690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).