N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide

C24H24FNO2 — CID 71120586

IUPACN-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide
SMILESCCc1ccc(O)c(CN(C(C)=O)c2cc(F)ccc2Cc2ccccc2)c1
InChIInChI=1S/C24H24FNO2/c1-3-18-9-12-24(28)21(13-18)16-26(17(2)27)23-15-22(25)11-10-20(23)14-19-7-5-4-6-8-19/h4-13,15,28H,3,14,16H2,1-2H3
InChIKeyFLISPVHGIPQWGS-UHFFFAOYSA-N
MW377.46 g/mol
LogP5.24
Rot. Bonds6

About N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide

N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide (PubChem CID 71120586) has the molecular formula C24H24FNO2 and a molecular weight of 377.46 g/mol. Its IUPAC name is N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide
PubChem CID71120586
Molecular FormulaC24H24FNO2
Molecular Weight377.46 g/mol
Exact Mass377.18
IUPAC NameN-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide
SMILESCCc1ccc(O)c(CN(C(C)=O)c2cc(F)ccc2Cc2ccccc2)c1
InChIInChI=1S/C24H24FNO2/c1-3-18-9-12-24(28)21(13-18)16-26(17(2)27)23-15-22(25)11-10-20(23)14-19-7-5-4-6-8-19/h4-13,15,28H,3,14,16H2,1-2H3
InChIKeyFLISPVHGIPQWGS-UHFFFAOYSA-N
XLogP5.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.46
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide?
The IUPAC name of N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide (CID 71120586) is N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide.
What is the SMILES notation for N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide?
The canonical SMILES for N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide is CCc1ccc(O)c(CN(C(C)=O)c2cc(F)ccc2Cc2ccccc2)c1.
What is the InChIKey of N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide?
The InChIKey is FLISPVHGIPQWGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FNO2/c1-3-18-9-12-24(28)21(13-18)16-26(17(2)27)23-15-22(25)11-10-20(23)14-19-7-5-4-6-8-19/h4-13,15,28H,3,14,16H2,1-2H3.
What are the key properties of N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide?
N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide has a molecular weight of 377.46 g/mol, XLogP of 5.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-fluorophenyl)-N-[(5-ethyl-2-hydroxyphenyl)methyl]acetamide is sourced from PubChem (CID 71120586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).