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

C25H19Cl2NO3 — CID 2896578

IUPACN-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(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)
InChIKeyUFCHRFCCAJOLOA-UHFFFAOYSA-N
MW452.34 g/mol
LogP6.14
Rot. Bonds6

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

N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide (PubChem CID 2896578) has the molecular formula C25H19Cl2NO3 and a molecular weight of 452.34 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
PubChem CID2896578
Molecular FormulaC25H19Cl2NO3
Molecular Weight452.34 g/mol
Exact Mass451.07
IUPAC NameN-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide
SMILESO=C(COc1ccccc1)NC(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)
InChIKeyUFCHRFCCAJOLOA-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide (CID 2896578) is N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide is O=C(COc1ccccc1)NC(c1ccc(Cl)cc1Cl)c1c(O)ccc2ccccc12.
What is the InChIKey of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
The InChIKey is UFCHRFCCAJOLOA-UHFFFAOYSA-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).
What are the key properties of N-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide?
N-[(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-[(2,4-dichlorophenyl)-(2-hydroxynaphthalen-1-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 2896578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).