N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide

C29H36F2N2O2 — CID 18955387

IUPACN-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCCCCCCCCCCCCc1cc(C(C(=O)Nc2ccc(F)cc2F)c2ccccc2)on1
InChIInChI=1S/C29H36F2N2O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-21-27(35-33-24)28(22-15-12-11-13-16-22)29(34)32-26-19-18-23(30)20-25(26)31/h11-13,15-16,18-21,28H,2-10,14,17H2,1H3,(H,32,34)
InChIKeyAGNHOHHJRZXSLI-UHFFFAOYSA-N
MW482.62 g/mol
LogP8.19
Rot. Bonds15

About N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide

N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide (PubChem CID 18955387) has the molecular formula C29H36F2N2O2 and a molecular weight of 482.62 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide
PubChem CID18955387
Molecular FormulaC29H36F2N2O2
Molecular Weight482.62 g/mol
Exact Mass482.27
IUPAC NameN-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide
SMILESCCCCCCCCCCCCc1cc(C(C(=O)Nc2ccc(F)cc2F)c2ccccc2)on1
InChIInChI=1S/C29H36F2N2O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-21-27(35-33-24)28(22-15-12-11-13-16-22)29(34)32-26-19-18-23(30)20-25(26)31/h11-13,15-16,18-21,28H,2-10,14,17H2,1H3,(H,32,34)
InChIKeyAGNHOHHJRZXSLI-UHFFFAOYSA-N
XLogP8.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.62
LogP ≤ 58.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide (CID 18955387) is N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide is CCCCCCCCCCCCc1cc(C(C(=O)Nc2ccc(F)cc2F)c2ccccc2)on1.
What is the InChIKey of N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
The InChIKey is AGNHOHHJRZXSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36F2N2O2/c1-2-3-4-5-6-7-8-9-10-14-17-24-21-27(35-33-24)28(22-15-12-11-13-16-22)29(34)32-26-19-18-23(30)20-25(26)31/h11-13,15-16,18-21,28H,2-10,14,17H2,1H3,(H,32,34).
What are the key properties of N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide?
N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide has a molecular weight of 482.62 g/mol, XLogP of 8.19, 15 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-(3-dodecyl-1,2-oxazol-5-yl)-2-phenylacetamide is sourced from PubChem (CID 18955387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).