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

C23H20ClNO3 — CID 1019246

IUPACN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H20ClNO3/c1-15-8-11-21(16(2)12-15)28-14-22(26)25-20-10-9-18(24)13-19(20)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyRUMHUHDAJYHFBY-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.21
Rot. Bonds6

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

N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide (PubChem CID 1019246) has the molecular formula C23H20ClNO3 and a molecular weight of 393.87 g/mol. Its IUPAC name is N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
PubChem CID1019246
Molecular FormulaC23H20ClNO3
Molecular Weight393.87 g/mol
Exact Mass393.11
IUPAC NameN-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1
InChIInChI=1S/C23H20ClNO3/c1-15-8-11-21(16(2)12-15)28-14-22(26)25-20-10-9-18(24)13-19(20)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,26)
InChIKeyRUMHUHDAJYHFBY-UHFFFAOYSA-N
XLogP5.21
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 3544695
2-(2-benzoyl-4-chlorophenoxy)-N-(2-methylphenyl)acetamide;ethane
CID 142824393
2-[[2-(2,4-dimethylphenoxy)acetyl]amino]benzoic acid
CID 45426301
2-(4-chloro-2-methylphenoxy)-N-(2-chloro-4-methylphenyl)acetamide
CID 7926730
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethyl-6-nitrophenoxy)acetamide
CID 4512304
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-benzoyl-4-chloroanilino)-2-oxoethyl] 2-methylpropanoate
CID 7782592
N'-[2-(2,4-dimethylphenoxy)acetyl]benzohydrazide
CID 909269
2-(4-chloro-2-methylphenoxy)-N-(2,4-dichlorophenyl)acetamide
CID 923084
N-[4-[[2-(4-chloro-2-methylphenoxy)acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 19180531

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide (CID 1019246) is N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(C)c1.
What is the InChIKey of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
The InChIKey is RUMHUHDAJYHFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClNO3/c1-15-8-11-21(16(2)12-15)28-14-22(26)25-20-10-9-18(24)13-19(20)23(27)17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,25,26).
What are the key properties of N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide?
N-(2-benzoyl-4-chlorophenyl)-2-(2,4-dimethylphenoxy)acetamide has a molecular weight of 393.87 g/mol, XLogP of 5.21, 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-dimethylphenoxy)acetamide is sourced from PubChem (CID 1019246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).