N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide

C26H20ClNO5 — CID 21000991

IUPACN-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2c(-c3ccccc3)oc3cc(C)c(Cl)cc3c2=O)c1
InChIInChI=1S/C26H20ClNO5/c1-15-11-22-20(13-21(15)27)24(31)26(25(33-22)17-7-4-3-5-8-17)32-14-23(30)28-19-10-6-9-18(12-19)16(2)29/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyJLMRDKKNKQBANJ-UHFFFAOYSA-N
MW461.90 g/mol
LogP5.64
Rot. Bonds6

About N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide

N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide (PubChem CID 21000991) has the molecular formula C26H20ClNO5 and a molecular weight of 461.90 g/mol. Its IUPAC name is N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
PubChem CID21000991
Molecular FormulaC26H20ClNO5
Molecular Weight461.90 g/mol
Exact Mass461.10
IUPAC NameN-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide
SMILESCC(=O)c1cccc(NC(=O)COc2c(-c3ccccc3)oc3cc(C)c(Cl)cc3c2=O)c1
InChIInChI=1S/C26H20ClNO5/c1-15-11-22-20(13-21(15)27)24(31)26(25(33-22)17-7-4-3-5-8-17)32-14-23(30)28-19-10-6-9-18(12-19)16(2)29/h3-13H,14H2,1-2H3,(H,28,30)
InChIKeyJLMRDKKNKQBANJ-UHFFFAOYSA-N
XLogP5.64
TPSA85.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.90
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
CID 21000983
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(2,4-dimethoxyphenyl)acetamide
CID 21000993
2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxy-N-(3-chloro-2-methylphenyl)acetamide
CID 21001051
ethyl 4-[[2-[6-chloro-7-methyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001065
ethyl 4-[[2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001206
methyl 3-[[2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetyl]amino]benzoate
CID 21001683
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(2,5-dimethylphenyl)acetamide
CID 21001210
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
6-chloro-3-[(4-chlorophenyl)methoxy]-7-methyl-2-phenylchromen-4-one
CID 7747603

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
The IUPAC name of N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide (CID 21000991) is N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide.
What is the SMILES notation for N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
The canonical SMILES for N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide is CC(=O)c1cccc(NC(=O)COc2c(-c3ccccc3)oc3cc(C)c(Cl)cc3c2=O)c1.
What is the InChIKey of N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
The InChIKey is JLMRDKKNKQBANJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO5/c1-15-11-22-20(13-21(15)27)24(31)26(25(33-22)17-7-4-3-5-8-17)32-14-23(30)28-19-10-6-9-18(12-19)16(2)29/h3-13H,14H2,1-2H3,(H,28,30).
What are the key properties of N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide?
N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide has a molecular weight of 461.90 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxyacetamide is sourced from PubChem (CID 21000991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).