N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide

C21H14Cl3NO3 — CID 3544695

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H14Cl3NO3/c22-14-6-8-18(16(10-14)21(27)13-4-2-1-3-5-13)25-20(26)12-28-19-9-7-15(23)11-17(19)24/h1-11H,12H2,(H,25,26)
InChIKeyQTUBFCLWLSTORN-UHFFFAOYSA-N
MW434.71 g/mol
LogP5.90
Rot. Bonds6

About N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide

N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide (PubChem CID 3544695) has the molecular formula C21H14Cl3NO3 and a molecular weight of 434.71 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
PubChem CID3544695
Molecular FormulaC21H14Cl3NO3
Molecular Weight434.71 g/mol
Exact Mass433.00
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1
InChIInChI=1S/C21H14Cl3NO3/c22-14-6-8-18(16(10-14)21(27)13-4-2-1-3-5-13)25-20(26)12-28-19-9-7-15(23)11-17(19)24/h1-11H,12H2,(H,25,26)
InChIKeyQTUBFCLWLSTORN-UHFFFAOYSA-N
XLogP5.90
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.71
LogP ≤ 55.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
CID 1019246
5-chloro-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 122187999
N-(2-benzoyl-4-chlorophenyl)-2-(2-bromo-4-propylphenoxy)acetamide
CID 19202630
N-(2-benzoyl-4-chlorophenyl)-2-(2-nitrophenoxy)acetamide
CID 1182886
N-(2-benzoyl-4-chlorophenyl)-2-(4-phenylphenoxy)acetamide
CID 19169901
2-(2,4-dichlorophenoxy)-N-[2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]phenyl]acetamide
CID 2198238
N-(2-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 744320
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
N-(2-benzoyl-4-chlorophenyl)-2-iodoacetamide
CID 12500538
2-[2-[[2-(2,4-dichlorophenoxy)acetyl]amino]phenyl]acetic acid
CID 166178801
[2-(2-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N-cyclopropyl-2-[[2-(2,4-dichlorophenoxy)acetyl]amino]benzamide
CID 7729391

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide (CID 3544695) is N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide?
The InChIKey is QTUBFCLWLSTORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3NO3/c22-14-6-8-18(16(10-14)21(27)13-4-2-1-3-5-13)25-20(26)12-28-19-9-7-15(23)11-17(19)24/h1-11H,12H2,(H,25,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide has a molecular weight of 434.71 g/mol, XLogP of 5.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 3544695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).