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

C24H24ClNO5 — CID 21000537

IUPAC2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
SMILESCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H24ClNO5/c1-29-18-10-7-15(8-11-18)23-24(22(28)19-13-16(25)9-12-20(19)31-23)30-14-21(27)26-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,26,27)
InChIKeyDOUTZKLVMWEMCP-UHFFFAOYSA-N
MW441.91 g/mol
LogP4.95
Rot. Bonds6

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

2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide (PubChem CID 21000537) has the molecular formula C24H24ClNO5 and a molecular weight of 441.91 g/mol. Its IUPAC name is 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide.

Molecular Properties

Compound Name2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
PubChem CID21000537
Molecular FormulaC24H24ClNO5
Molecular Weight441.91 g/mol
Exact Mass441.13
IUPAC Name2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide
SMILESCOc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)NC2CCCCC2)cc1
InChIInChI=1S/C24H24ClNO5/c1-29-18-10-7-15(8-11-18)23-24(22(28)19-13-16(25)9-12-20(19)31-23)30-14-21(27)26-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,26,27)
InChIKeyDOUTZKLVMWEMCP-UHFFFAOYSA-N
XLogP4.95
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.91
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21000470
[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl] cyclohexanecarboxylate
CID 7747103
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-piperidin-1-ylsulfonylphenyl)acetamide
CID 21000551
N-cyclohexyl-2-[2-(3,4-dimethoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999891
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-(4-morpholin-4-ylsulfonylphenyl)acetamide
CID 21000552
N-cyclohexyl-2-[5,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 1413410
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
N-[4-[[2-(4-chlorophenoxy)acetyl]amino]cyclohexyl]-2-(4-methoxyphenoxy)acetamide
CID 121260490
2-[2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylpropanamide
CID 46303284
methyl 2-[2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxyacetate
CID 2240973
2-(4-chlorophenoxy)-N-cyclooctylacetamide
CID 875180

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide?
The IUPAC name of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide (CID 21000537) is 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide.
What is the SMILES notation for 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide?
The canonical SMILES for 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide is COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OCC(=O)NC2CCCCC2)cc1.
What is the InChIKey of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide?
The InChIKey is DOUTZKLVMWEMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClNO5/c1-29-18-10-7-15(8-11-18)23-24(22(28)19-13-16(25)9-12-20(19)31-23)30-14-21(27)26-17-5-3-2-4-6-17/h7-13,17H,2-6,14H2,1H3,(H,26,27).
What are the key properties of 2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide?
2-[6-chloro-2-(4-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide has a molecular weight of 441.91 g/mol, XLogP of 4.95, 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-methoxyphenyl)-4-oxochromen-3-yl]oxy-N-cyclohexylacetamide is sourced from PubChem (CID 21000537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).