2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide

C25H19ClFNO4 — CID 20999730

IUPAC2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
SMILESCc1cc2oc(-c3ccc(Cl)cc3)c(OCC(=O)Nc3ccc(F)cc3)c(=O)c2cc1C
InChIInChI=1S/C25H19ClFNO4/c1-14-11-20-21(12-15(14)2)32-24(16-3-5-17(26)6-4-16)25(23(20)30)31-13-22(29)28-19-9-7-18(27)8-10-19/h3-12H,13H2,1-2H3,(H,28,29)
InChIKeyJGACOTDJUKHUOZ-UHFFFAOYSA-N
MW451.88 g/mol
LogP5.89
Rot. Bonds5

About 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide

2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide (PubChem CID 20999730) has the molecular formula C25H19ClFNO4 and a molecular weight of 451.88 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
PubChem CID20999730
Molecular FormulaC25H19ClFNO4
Molecular Weight451.88 g/mol
Exact Mass451.10
IUPAC Name2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
SMILESCc1cc2oc(-c3ccc(Cl)cc3)c(OCC(=O)Nc3ccc(F)cc3)c(=O)c2cc1C
InChIInChI=1S/C25H19ClFNO4/c1-14-11-20-21(12-15(14)2)32-24(16-3-5-17(26)6-4-16)25(23(20)30)31-13-22(29)28-19-9-7-18(27)8-10-19/h3-12H,13H2,1-2H3,(H,28,29)
InChIKeyJGACOTDJUKHUOZ-UHFFFAOYSA-N
XLogP5.89
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.88
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-7-methyl-4-oxo-2-phenylchromen-3-yl)oxy-N-(4-fluorophenyl)acetamide
CID 21000983
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
ethyl 4-[[2-[6-chloro-2-(4-chlorophenyl)-7-methyl-4-oxochromen-3-yl]oxyacetyl]amino]benzoate
CID 21001206
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-(4-methoxyphenyl)acetamide
CID 21000470
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-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(3-methylphenyl)acetamide
CID 21000454
2-[2-(4-tert-butylphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-[4-(dimethylsulfamoyl)phenyl]acetamide
CID 20999595
2-(4-chlorophenyl)-3-[(4-chlorophenyl)methoxy]-6,7-dimethylchromen-4-one
CID 20999721
2-[6-chloro-2-(4-chlorophenyl)-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 21000460

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide (CID 20999730) is 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide is Cc1cc2oc(-c3ccc(Cl)cc3)c(OCC(=O)Nc3ccc(F)cc3)c(=O)c2cc1C.
What is the InChIKey of 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide?
The InChIKey is JGACOTDJUKHUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClFNO4/c1-14-11-20-21(12-15(14)2)32-24(16-3-5-17(26)6-4-16)25(23(20)30)31-13-22(29)28-19-9-7-18(27)8-10-19/h3-12H,13H2,1-2H3,(H,28,29).
What are the key properties of 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide?
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide has a molecular weight of 451.88 g/mol, XLogP of 5.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 20999730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).