2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

C29H32FN3O2 — CID 56645146

IUPAC2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C29H32FN3O2/c1-21-11-8-9-18-26(21)28(29(35)32-24-15-6-3-7-16-24)33(25-17-10-12-22(30)19-25)27(34)20-31-23-13-4-2-5-14-23/h2,4-5,8-14,17-19,24,28,31H,3,6-7,15-16,20H2,1H3,(H,32,35)
InChIKeyCGVVOVYKDAYWNR-UHFFFAOYSA-N
MW473.59 g/mol
LogP5.77
Rot. Bonds8

About 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide (PubChem CID 56645146) has the molecular formula C29H32FN3O2 and a molecular weight of 473.59 g/mol. Its IUPAC name is 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
PubChem CID56645146
Molecular FormulaC29H32FN3O2
Molecular Weight473.59 g/mol
Exact Mass473.25
IUPAC Name2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1ccccc1)c1cccc(F)c1
InChIInChI=1S/C29H32FN3O2/c1-21-11-8-9-18-26(21)28(29(35)32-24-15-6-3-7-16-24)33(25-17-10-12-22(30)19-25)27(34)20-31-23-13-4-2-5-14-23/h2,4-5,8-14,17-19,24,28,31H,3,6-7,15-16,20H2,1H3,(H,32,35)
InChIKeyCGVVOVYKDAYWNR-UHFFFAOYSA-N
XLogP5.77
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.59
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide (CID 56645146) is 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)CNc1ccccc1)c1cccc(F)c1.
What is the InChIKey of 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The InChIKey is CGVVOVYKDAYWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN3O2/c1-21-11-8-9-18-26(21)28(29(35)32-24-15-6-3-7-16-24)33(25-17-10-12-22(30)19-25)27(34)20-31-23-13-4-2-5-14-23/h2,4-5,8-14,17-19,24,28,31H,3,6-7,15-16,20H2,1H3,(H,32,35).
What are the key properties of 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide has a molecular weight of 473.59 g/mol, XLogP of 5.77, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(2-anilinoacetyl)-3-fluoroanilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56645146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).