2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide

C26H21Cl2NO4 — CID 21001051

IUPAC2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C26H21Cl2NO4/c1-14-7-9-17(10-8-14)25-26(24(31)18-12-20(28)15(2)11-22(18)33-25)32-13-23(30)29-21-6-4-5-19(27)16(21)3/h4-12H,13H2,1-3H3,(H,29,30)
InChIKeyLTLKPEBOKQOZFL-UHFFFAOYSA-N
MW482.36 g/mol
LogP6.71
Rot. Bonds5

About 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide

2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide (PubChem CID 21001051) has the molecular formula C26H21Cl2NO4 and a molecular weight of 482.36 g/mol. Its IUPAC name is 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
PubChem CID21001051
Molecular FormulaC26H21Cl2NO4
Molecular Weight482.36 g/mol
Exact Mass481.08
IUPAC Name2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
SMILESCc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OCC(=O)Nc2cccc(Cl)c2C)cc1
InChIInChI=1S/C26H21Cl2NO4/c1-14-7-9-17(10-8-14)25-26(24(31)18-12-20(28)15(2)11-22(18)33-25)32-13-23(30)29-21-6-4-5-19(27)16(21)3/h4-12H,13H2,1-3H3,(H,29,30)
InChIKeyLTLKPEBOKQOZFL-UHFFFAOYSA-N
XLogP6.71
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.36
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 21001210
ethyl 4-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001065
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729
N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
CID 21000991
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 21000993
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
CID 21000983
methyl 2-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 21001090
ethyl 4-[[2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001206
N-(3-chloro-2-methylphenyl)-2-(2,6-dimethylphenoxy)acetamide
CID 835994
N-(3-chloro-2-methylphenyl)-2-(4-methylphenoxy)acetamide
CID 759065

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide?
The IUPAC name of 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide (CID 21001051) is 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide is Cc1ccc(-c2oc3cc(C)c(Cl)cc3c(=O)c2OCC(=O)Nc2cccc(Cl)c2C)cc1.
What is the InChIKey of 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide?
The InChIKey is LTLKPEBOKQOZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2NO4/c1-14-7-9-17(10-8-14)25-26(24(31)18-12-20(28)15(2)11-22(18)33-25)32-13-23(30)29-21-6-4-5-19(27)16(21)3/h4-12H,13H2,1-3H3,(H,29,30).
What are the key properties of 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide?
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide has a molecular weight of 482.36 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide is sourced from PubChem (CID 21001051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).