(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide

C28H24FN5O3 — CID 1465820

About (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide

(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide (PubChem CID 1465820) has the molecular formula C28H24FN5O3 and a molecular weight of 497.53 g/mol. Its IUPAC name is (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide.

Molecular Properties

• Compound Name: (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide
• PubChem CID: 1465820
• Molecular Formula: C28H24FN5O3
• Molecular Weight: 497.53 g/mol
• Exact Mass: 497.19
• IUPAC Name: (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide
• SMILES: Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1
• InChI: InChI=1S/C28H24FN5O3/c1-19-11-13-20(14-12-19)27(28(36)30-17-23-8-5-15-37-23)34(22-7-4-6-21(29)16-22)26(35)18-33-25-10-3-2-9-24(25)31-32-33/h2-16,27H,17-18H2,1H3,(H,30,36)/t27-/m1/s1
• InChIKey: GDTRRGGMORCARF-HHHXNRCGSA-N
• XLogP: 4.56
• TPSA: 93.26 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.53
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide?

The IUPAC name of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide (CID 1465820) is (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide.

What is the SMILES notation for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide?

The canonical SMILES for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide is Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)Cn2nnc3ccccc32)c2cccc(F)c2)cc1.

What is the InChIKey of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide?

The InChIKey is GDTRRGGMORCARF-HHHXNRCGSA-N. The full InChI is InChI=1S/C28H24FN5O3/c1-19-11-13-20(14-12-19)27(28(36)30-17-23-8-5-15-37-23)34(22-7-4-6-21(29)16-22)26(35)18-33-25-10-3-2-9-24(25)31-32-33/h2-16,27H,17-18H2,1H3,(H,30,36)/t27-/m1/s1.

What are the key properties of (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide?

(2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide has a molecular weight of 497.53 g/mol, XLogP of 4.56, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-(furan-2-ylmethyl)-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 1465820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).