2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide

C23H21ClN2O5 — CID 41428663

IUPAC2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCOc1cc(OC)c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C23H21ClN2O5/c1-29-20-13-21(30-2)18(12-17(20)24)26-22(27)14-31-19-11-7-6-10-16(19)23(28)25-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWEFGIDJRWHNHEQ-UHFFFAOYSA-N
MW440.88 g/mol
LogP4.63
Rot. Bonds8

About 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide

2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide (PubChem CID 41428663) has the molecular formula C23H21ClN2O5 and a molecular weight of 440.88 g/mol. Its IUPAC name is 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide.

Molecular Properties

Compound Name2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
PubChem CID41428663
Molecular FormulaC23H21ClN2O5
Molecular Weight440.88 g/mol
Exact Mass440.11
IUPAC Name2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide
SMILESCOc1cc(OC)c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl
InChIInChI=1S/C23H21ClN2O5/c1-29-20-13-21(30-2)18(12-17(20)24)26-22(27)14-31-19-11-7-6-10-16(19)23(28)25-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27)
InChIKeyWEFGIDJRWHNHEQ-UHFFFAOYSA-N
XLogP4.63
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-chloro-2-fluoroanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 8852932
N-(4-chloro-2,5-dimethoxyphenyl)-2-(2,3-dimethoxyphenoxy)acetamide
CID 112978511
2-(2-benzylphenoxy)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 7936748
N-(5-chloro-2,4-dimethoxyphenyl)-2-(2-nitrophenoxy)acetamide
CID 7751407
[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl] 2-(2-chlorophenoxy)acetate
CID 42003289
2-[[4-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 22785294
2-[2-(3,5-dimethylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 7980967
N-(5-chloro-2,4-dimethoxyphenyl)-2-hydroxybenzamide
CID 772092
2-[2-(4-iodo-2-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 112778621
2-[2-(3-methylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 2709122
N-(5-chloro-2,4-dimethoxyphenyl)-2-methoxyacetamide
CID 836298
2-[2-(2-methylsulfonylanilino)-2-oxoethoxy]-N-phenylbenzamide
CID 26675454

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide?
The IUPAC name of 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide (CID 41428663) is 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide.
What is the SMILES notation for 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide?
The canonical SMILES for 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide is COc1cc(OC)c(NC(=O)COc2ccccc2C(=O)Nc2ccccc2)cc1Cl.
What is the InChIKey of 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide?
The InChIKey is WEFGIDJRWHNHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O5/c1-29-20-13-21(30-2)18(12-17(20)24)26-22(27)14-31-19-11-7-6-10-16(19)23(28)25-15-8-4-3-5-9-15/h3-13H,14H2,1-2H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide?
2-[2-(5-chloro-2,4-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide has a molecular weight of 440.88 g/mol, XLogP of 4.63, 8 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-dimethoxyanilino)-2-oxoethoxy]-N-phenylbenzamide is sourced from PubChem (CID 41428663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).