(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide

C30H26FN5O2 — CID 1463555

About (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide

(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide (PubChem CID 1463555) has the molecular formula C30H26FN5O2 and a molecular weight of 507.57 g/mol. Its IUPAC name is (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide
• PubChem CID: 1463555
• Molecular Formula: C30H26FN5O2
• Molecular Weight: 507.57 g/mol
• Exact Mass: 507.21
• IUPAC Name: (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide
• SMILES: Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F
• InChI: InChI=1S/C30H26FN5O2/c1-21-11-5-6-14-23(21)29(30(38)32-19-22-12-3-2-4-13-22)36(26-17-9-7-15-24(26)31)28(37)20-35-27-18-10-8-16-25(27)33-34-35/h2-18,29H,19-20H2,1H3,(H,32,38)/t29-/m1/s1
• InChIKey: FRBQMUKRXDGSJH-GDLZYMKVSA-N
• XLogP: 4.97
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.57
LogP ≤ 5	4.97
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide?

The IUPAC name of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide (CID 1463555) is (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide.

What is the SMILES notation for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide?

The canonical SMILES for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide is Cc1ccccc1[C@H](C(=O)NCc1ccccc1)N(C(=O)Cn1nnc2ccccc21)c1ccccc1F.

What is the InChIKey of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide?

The InChIKey is FRBQMUKRXDGSJH-GDLZYMKVSA-N. The full InChI is InChI=1S/C30H26FN5O2/c1-21-11-5-6-14-23(21)29(30(38)32-19-22-12-3-2-4-13-22)36(26-17-9-7-15-24(26)31)28(37)20-35-27-18-10-8-16-25(27)33-34-35/h2-18,29H,19-20H2,1H3,(H,32,38)/t29-/m1/s1.

What are the key properties of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide?

(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide has a molecular weight of 507.57 g/mol, XLogP of 4.97, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-2-fluoroanilino)-N-benzyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 1463555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).