N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide

C25H19Cl2NO3 — CID 2279125

IUPACN-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H19Cl2NO3/c26-17-11-12-20(21(27)14-17)25(28-23(30)15-31-18-7-2-1-3-8-18)24-19-9-5-4-6-16(19)10-13-22(24)29/h1-14,25,29H,15H2,(H,28,30)/t25-/m0/s1
InChIKeyUFCHRFCCAJOLOA-VWLOTQADSA-N
MW452.34 g/mol
LogP6.14
Rot. Bonds6

About N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide

N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide (PubChem CID 2279125) has the molecular formula C25H19Cl2NO3 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
PubChem CID2279125
Molecular FormulaC25H19Cl2NO3
Molecular Weight452.34 g/mol
Exact Mass451.07
IUPAC NameN-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12
InChIInChI=1S/C25H19Cl2NO3/c26-17-11-12-20(21(27)14-17)25(28-23(30)15-31-18-7-2-1-3-8-18)24-19-9-5-4-6-16(19)10-13-22(24)29/h1-14,25,29H,15H2,(H,28,30)/t25-/m0/s1
InChIKeyUFCHRFCCAJOLOA-VWLOTQADSA-N
XLogP6.14
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.34
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[[2-[(4-Chlorophenyl)methoxy]naphthalen-1-yl]methylamino]-2-methylpropan-1-ol;hydrochloride
CID 2949571
2-[[2-[(2,4-Dichlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethanol
CID 2951430
2-[2-[[2-[(2-Chlorophenyl)methoxy]naphthalen-1-yl]methylamino]ethylamino]ethanol
CID 4720282
2-(((2-((4-Chlorobenzyl)oxy)naphthalen-1-yl)methyl)amino)ethanol hydrochloride
CID 17155105
N-[2-(2,4-dichlorophenyl)ethyl]-2-[6-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-7-hydroxynaphthalen-2-yl]oxyacetamide
CID 134152452
US20230391714, Nucc-0201970
CID 170795105
US20230391714, Nucc-0202026
CID 170795161
US20230391714, Nucc-0202054
CID 170795176
2-[({2-[(4-Chlorobenzyl)oxy]-1-naphthyl}methyl)amino]ethanol
CID 1977101
1-[({2-[(2-Chlorobenzyl)oxy]naphthalen-1-yl}methyl)amino]propan-2-ol
CID 4716219
US20230391714, Nucc-0201617
CID 170795086
N-[(2-hydroxynaphthyl)phenylmethyl]-2-(2-methylphenoxy)acetamide
CID 2787116

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide (CID 2279125) is N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)N[C@@H](c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
The InChIKey is UFCHRFCCAJOLOA-VWLOTQADSA-N. The full InChI is InChI=1S/C25H19Cl2NO3/c26-17-11-12-20(21(27)14-17)25(28-23(30)15-31-18-7-2-1-3-8-18)24-19-9-5-4-6-16(19)10-13-22(24)29/h1-14,25,29H,15H2,(H,28,30)/t25-/m0/s1.
What are the key properties of N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide has a molecular weight of 452.34 g/mol, XLogP of 6.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 2279125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).