N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide

C24H22Cl2FNO5 — CID 166762395

IUPACN-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide
SMILESCCOC(O)C(=O)Nc1cc(Cl)c(Oc2ccc(OC)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C24H22Cl2FNO5/c1-3-32-24(30)23(29)28-17-12-19(25)22(20(26)13-17)33-18-8-9-21(31-2)15(11-18)10-14-4-6-16(27)7-5-14/h4-9,11-13,24,30H,3,10H2,1-2H3,(H,28,29)
InChIKeyUWVFQMLEIBDEBD-UHFFFAOYSA-N
MW494.35 g/mol
LogP5.82
Rot. Bonds9

About N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide

N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide (PubChem CID 166762395) has the molecular formula C24H22Cl2FNO5 and a molecular weight of 494.35 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide
PubChem CID166762395
Molecular FormulaC24H22Cl2FNO5
Molecular Weight494.35 g/mol
Exact Mass493.09
IUPAC NameN-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide
SMILESCCOC(O)C(=O)Nc1cc(Cl)c(Oc2ccc(OC)c(Cc3ccc(F)cc3)c2)c(Cl)c1
InChIInChI=1S/C24H22Cl2FNO5/c1-3-32-24(30)23(29)28-17-12-19(25)22(20(26)13-17)33-18-8-9-21(31-2)15(11-18)10-14-4-6-16(27)7-5-14/h4-9,11-13,24,30H,3,10H2,1-2H3,(H,28,29)
InChIKeyUWVFQMLEIBDEBD-UHFFFAOYSA-N
XLogP5.82
TPSA77.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.35
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-(3-chloro-4-methoxyphenyl)-2-(4-fluorophenoxy)butanamide
CID 93486662
1,3-dichloro-2-[3-[(4-chlorophenyl)methyl]-4-methoxyphenoxy]-5-nitrobenzene
CID 10320941
4-(3-benzyl-4-methoxyphenoxy)-3,5-dichloroaniline
CID 129199019
ethyl 2-[4-(3-benzyl-4-methoxyphenoxy)-3,5-dichloro-N-(2-phenylacetyl)anilino]acetate
CID 46853054
4-[2,6-dichloro-4-[[ethoxy(ethyl)phosphoryl]oxymethyl]phenoxy]-2-[(4-fluorophenyl)methyl]phenol
CID 87087424
[3-[(4-fluorophenyl)methyl]-4-methoxyphenyl] benzenecarboperoxoate
CID 143339875
N-[3,5-dichloro-4-[4-hydroxy-3-[(4-methylphenyl)methyl]phenoxy]phenyl]-N'-hydroxyoxamide
CID 129210822
N'-[2-(2,5-dimethoxyphenyl)acetyl]-2-(4-fluorophenyl)acetohydrazide
CID 78822007
ethyl 2-[[7-[3-[2-(4-fluorophenyl)ethyl]-4-methoxyphenoxy]-6-methyl-2,3-dihydro-1H-inden-4-yl]amino]-2-oxoacetate
CID 21110623
[5-(2,6-dichlorophenoxy)-2-methoxyphenyl]-(4-fluorophenyl)methanone
CID 141114249
3-[3-chloro-4-[3-[(4-fluorophenyl)methylsulfonyl]-4-hydroxyphenoxy]-5-methylanilino]-2-methyl-3-oxopropanoic acid
CID 10165018
ethyl 2-[4-[2-[3-[(4-fluorophenyl)methyl]-4-hydroxyphenoxy]phenoxy]-3,5-dimethylanilino]-2-oxoacetate
CID 54354262

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide?
The IUPAC name of N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide (CID 166762395) is N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide.
What is the SMILES notation for N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide?
The canonical SMILES for N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide is CCOC(O)C(=O)Nc1cc(Cl)c(Oc2ccc(OC)c(Cc3ccc(F)cc3)c2)c(Cl)c1.
What is the InChIKey of N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide?
The InChIKey is UWVFQMLEIBDEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22Cl2FNO5/c1-3-32-24(30)23(29)28-17-12-19(25)22(20(26)13-17)33-18-8-9-21(31-2)15(11-18)10-14-4-6-16(27)7-5-14/h4-9,11-13,24,30H,3,10H2,1-2H3,(H,28,29).
What are the key properties of N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide?
N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide has a molecular weight of 494.35 g/mol, XLogP of 5.82, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[3-[(4-fluorophenyl)methyl]-4-methoxyphenoxy]phenyl]-2-ethoxy-2-hydroxyacetamide is sourced from PubChem (CID 166762395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).