3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide

C23H21ClN2O5 — CID 55733911

IUPAC3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H21ClN2O5/c1-2-29-17-7-9-18(10-8-17)31-21-11-6-16(24)13-20(21)26-22(27)14-30-19-5-3-4-15(12-19)23(25)28/h3-13H,2,14H2,1H3,(H2,25,28)(H,26,27)
InChIKeyBWXLDILFOJEPOU-UHFFFAOYSA-N
MW440.88 g/mol
LogP4.65
Rot. Bonds9

About 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide

3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide (PubChem CID 55733911) has the molecular formula C23H21ClN2O5 and a molecular weight of 440.88 g/mol. Its IUPAC name is 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide.

Molecular Properties

Compound Name3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide
PubChem CID55733911
Molecular FormulaC23H21ClN2O5
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC Name3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C(N)=O)c2)cc1
InChIInChI=1S/C23H21ClN2O5/c1-2-29-17-7-9-18(10-8-17)31-21-11-6-16(24)13-20(21)26-22(27)14-30-19-5-3-4-15(12-19)23(25)28/h3-13H,2,14H2,1H3,(H2,25,28)(H,26,27)
InChIKeyBWXLDILFOJEPOU-UHFFFAOYSA-N
XLogP4.65
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 54.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
CID 24585455
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138
3-(2-amino-2-oxoethoxy)-N-[2-(4-ethoxyphenoxy)phenyl]benzamide
CID 35680500
2-(3-butoxyphenoxy)-N-(5-chloro-2-methoxyphenyl)acetamide
CID 4733171
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509
N-[3-[2-(5-chloro-2-methoxyanilino)-2-oxoethoxy]phenyl]propanamide
CID 18870278
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 4802995
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]-2-(4-oxoquinolin-1-yl)acetamide
CID 60586135
2-(4-chlorophenoxy)-1-(3-ethoxyphenyl)ethanone
CID 105122407
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-2-[3-(trifluoromethyl)phenoxy]acetamide
CID 100758535
N-(5-chloro-2-methoxyphenyl)-2-(3-fluorophenoxy)acetamide
CID 2710232

Frequently Asked Questions

What is the IUPAC name of 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide?
The IUPAC name of 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide (CID 55733911) is 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide.
What is the SMILES notation for 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide?
The canonical SMILES for 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide is CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc(C(N)=O)c2)cc1.
What is the InChIKey of 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide?
The InChIKey is BWXLDILFOJEPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5/c1-2-29-17-7-9-18(10-8-17)31-21-11-6-16(24)13-20(21)26-22(27)14-30-19-5-3-4-15(12-19)23(25)28/h3-13H,2,14H2,1H3,(H2,25,28)(H,26,27).
What are the key properties of 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide?
3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide has a molecular weight of 440.88 g/mol, XLogP of 4.65, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide is sourced from PubChem (CID 55733911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).