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

C24H23ClN2O5 — CID 24585455

IUPAC2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cc(C)ccc2C(N)=O)cc1
InChIInChI=1S/C24H23ClN2O5/c1-3-30-17-6-8-18(9-7-17)32-21-11-5-16(25)13-20(21)27-23(28)14-31-22-12-15(2)4-10-19(22)24(26)29/h4-13H,3,14H2,1-2H3,(H2,26,29)(H,27,28)
InChIKeyHNFRJLVPTUOLJV-UHFFFAOYSA-N
MW454.91 g/mol
LogP4.96
Rot. Bonds9

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

2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide (PubChem CID 24585455) has the molecular formula C24H23ClN2O5 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide.

Molecular Properties

Compound Name2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
PubChem CID24585455
Molecular FormulaC24H23ClN2O5
Molecular Weight454.91 g/mol
Exact Mass454.13
IUPAC Name2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide
SMILESCCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cc(C)ccc2C(N)=O)cc1
InChIInChI=1S/C24H23ClN2O5/c1-3-30-17-6-8-18(9-7-17)32-21-11-5-16(25)13-20(21)27-23(28)14-31-22-12-15(2)4-10-19(22)24(26)29/h4-13H,3,14H2,1-2H3,(H2,26,29)(H,27,28)
InChIKeyHNFRJLVPTUOLJV-UHFFFAOYSA-N
XLogP4.96
TPSA99.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]benzamide
CID 55733911
N-[5-chloro-2-(4-ethoxyphenoxy)phenyl]pentanamide
CID 2563930
2-[2-(2-fluoro-4-methylanilino)-2-oxoethoxy]-4-methylbenzamide
CID 24585355
2-[2-(2-chloro-4-methylanilino)-2-oxoethoxy]-4-methoxybenzamide
CID 18085795
2-(4-bromophenoxy)-N-(5-chloro-2-ethoxyphenyl)acetamide
CID 60536138
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoic acid
CID 882599
N-(5-chloro-2-phenoxyphenyl)-2-(2-propoxyphenoxy)acetamide
CID 18277509
2-(4-chlorophenoxy)-N-[2-(4-methylphenoxy)phenyl]acetamide
CID 7925670
4-chloro-2-[[2-(2,5-dimethylphenoxy)acetyl]amino]benzoate
CID 7334375
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
4-chloro-2-ethoxybenzamide
CID 126998915
N-(2,5-dichlorophenyl)-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35987064

Frequently Asked Questions

What is the IUPAC name of 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide?
The IUPAC name of 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide (CID 24585455) is 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide.
What is the SMILES notation for 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide?
The canonical SMILES for 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide is CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cc(C)ccc2C(N)=O)cc1.
What is the InChIKey of 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide?
The InChIKey is HNFRJLVPTUOLJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN2O5/c1-3-30-17-6-8-18(9-7-17)32-21-11-5-16(25)13-20(21)27-23(28)14-31-22-12-15(2)4-10-19(22)24(26)29/h4-13H,3,14H2,1-2H3,(H2,26,29)(H,27,28).
What are the key properties of 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide?
2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide has a molecular weight of 454.91 g/mol, XLogP of 4.96, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[5-chloro-2-(4-ethoxyphenoxy)anilino]-2-oxoethoxy]-4-methylbenzamide is sourced from PubChem (CID 24585455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).