2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide

C24H17Cl2NO5 — CID 21000470

IUPAC2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C24H17Cl2NO5/c1-30-18-9-7-17(8-10-18)27-21(28)13-31-24-22(29)19-12-16(26)6-11-20(19)32-23(24)14-2-4-15(25)5-3-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyOZPNLEFEGMMJPQ-UHFFFAOYSA-N
MW470.31 g/mol
LogP5.79
Rot. Bonds6

About 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide

2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide (PubChem CID 21000470) has the molecular formula C24H17Cl2NO5 and a molecular weight of 470.31 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
PubChem CID21000470
Molecular FormulaC24H17Cl2NO5
Molecular Weight470.31 g/mol
Exact Mass469.05
IUPAC Name2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1
InChIInChI=1S/C24H17Cl2NO5/c1-30-18-9-7-17(8-10-18)27-21(28)13-31-24-22(29)19-12-16(26)6-11-20(19)32-23(24)14-2-4-15(25)5-3-14/h2-12H,13H2,1H3,(H,27,28)
InChIKeyOZPNLEFEGMMJPQ-UHFFFAOYSA-N
XLogP5.79
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.31
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 21000551
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 21000552
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
CID 21000537
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460
ethyl 4-[[2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001206
2-(6-chloro-4-oxo-2-phenylchromen-3-yl)oxy-N-(2-fluorophenyl)acetamide
CID 21000237
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
N-[3-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]acetamide
CID 15512805
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999810

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide (CID 21000470) is 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)COc2c(-c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?
The InChIKey is OZPNLEFEGMMJPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17Cl2NO5/c1-30-18-9-7-17(8-10-18)27-21(28)13-31-24-22(29)19-12-16(26)6-11-20(19)32-23(24)14-2-4-15(25)5-3-14/h2-12H,13H2,1H3,(H,27,28).
What are the key properties of 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide?
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide has a molecular weight of 470.31 g/mol, XLogP of 5.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 21000470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).