ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate

C28H28Cl2N2O5 — CID 70985038

IUPACethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)c(Cl)c1
InChIInChI=1S/C28H28Cl2N2O5/c1-2-36-26(33)18-19-3-12-25(24(30)17-19)37-23-10-8-22(9-11-23)31-27(34)32-15-13-28(35,14-16-32)20-4-6-21(29)7-5-20/h3-12,17,35H,2,13-16,18H2,1H3,(H,31,34)
InChIKeyUKYLNCLBUOMVHE-UHFFFAOYSA-N
MW543.45 g/mol
LogP6.41
Rot. Bonds7

About ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate

ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate (PubChem CID 70985038) has the molecular formula C28H28Cl2N2O5 and a molecular weight of 543.45 g/mol. Its IUPAC name is ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate
PubChem CID70985038
Molecular FormulaC28H28Cl2N2O5
Molecular Weight543.45 g/mol
Exact Mass542.14
IUPAC Nameethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)c(Cl)c1
InChIInChI=1S/C28H28Cl2N2O5/c1-2-36-26(33)18-19-3-12-25(24(30)17-19)37-23-10-8-22(9-11-23)31-27(34)32-15-13-28(35,14-16-32)20-4-6-21(29)7-5-20/h3-12,17,35H,2,13-16,18H2,1H3,(H,31,34)
InChIKeyUKYLNCLBUOMVHE-UHFFFAOYSA-N
XLogP6.41
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.45
LogP ≤ 56.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate with MolForge

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Related Compounds

ethyl 2-[4-(4-amino-3-methylphenoxy)-3-chlorophenyl]acetate
CID 89159471
ethyl 2-[3-chloro-4-[4-[(4-chloro-3-methoxybenzoyl)amino]phenoxy]phenyl]acetate
CID 70984916
2-[3-chloro-4-[4-[(4-phenylpiperidine-1-carbonyl)amino]phenoxy]phenyl]acetic acid
CID 70984942
ethyl 2-[3-chloro-4-[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70985006
ethyl 2-[4-[4-[(5-bromo-1-benzofuran-2-carbonyl)amino]phenoxy]-3-chlorophenyl]acetate
CID 70985035
ethyl 2-[3-chloro-4-[4-[(5-hydroxy-1H-indole-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 143840555
ethyl 2-[3-chloro-4-[4-(6,7-dihydro-1H-benzimidazole-2-carbonylamino)phenoxy]phenyl]acetate
CID 143840537
ethyl 2-[3-chloro-4-[4-[(6-methoxy-1H-benzimidazole-2-carbonyl)amino]phenoxy]phenyl]acetate
CID 70984920
4-[(4-chlorophenyl)methyl]-N-(4-ethoxyphenyl)piperazine-1-carboxamide
CID 6470193
ethyl 2-[4-[[4-(morpholin-4-ylmethyl)piperidine-1-carbonyl]amino]phenyl]acetate
CID 20907510
4-[(4-chlorophenyl)methyl]-N-(4-methoxyphenyl)piperazine-1-carboxamide
CID 6470831
N-(3-chloro-5-fluorophenyl)-4-(4-fluorophenyl)-4-hydroxypiperidine-1-carboxamide
CID 23072136

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate?
The IUPAC name of ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate (CID 70985038) is ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate.
What is the SMILES notation for ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate?
The canonical SMILES for ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate is CCOC(=O)Cc1ccc(Oc2ccc(NC(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)cc2)c(Cl)c1.
What is the InChIKey of ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate?
The InChIKey is UKYLNCLBUOMVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28Cl2N2O5/c1-2-36-26(33)18-19-3-12-25(24(30)17-19)37-23-10-8-22(9-11-23)31-27(34)32-15-13-28(35,14-16-32)20-4-6-21(29)7-5-20/h3-12,17,35H,2,13-16,18H2,1H3,(H,31,34).
What are the key properties of ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate?
ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate has a molecular weight of 543.45 g/mol, XLogP of 6.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[3-chloro-4-[4-[[4-(4-chlorophenyl)-4-hydroxypiperidine-1-carbonyl]amino]phenoxy]phenyl]acetate is sourced from PubChem (CID 70985038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).