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

C31H24ClNO5 — CID 20999683

IUPAC2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc2oc(-c3ccccc3Cl)c(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2cc1C
InChIInChI=1S/C31H24ClNO5/c1-19-16-25-27(17-20(19)2)38-30(24-10-6-7-11-26(24)32)31(29(25)35)36-18-28(34)33-21-12-14-23(15-13-21)37-22-8-4-3-5-9-22/h3-17H,18H2,1-2H3,(H,33,34)
InChIKeyUVKQFPZYTOZDHM-UHFFFAOYSA-N
MW525.99 g/mol
LogP7.54
Rot. Bonds7

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

2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide (PubChem CID 20999683) has the molecular formula C31H24ClNO5 and a molecular weight of 525.99 g/mol. Its IUPAC name is 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
PubChem CID20999683
Molecular FormulaC31H24ClNO5
Molecular Weight525.99 g/mol
Exact Mass525.13
IUPAC Name2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide
SMILESCc1cc2oc(-c3ccccc3Cl)c(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2cc1C
InChIInChI=1S/C31H24ClNO5/c1-19-16-25-27(17-20(19)2)38-30(24-10-6-7-11-26(24)32)31(29(25)35)36-18-28(34)33-21-12-14-23(15-13-21)37-22-8-4-3-5-9-22/h3-17H,18H2,1-2H3,(H,33,34)
InChIKeyUVKQFPZYTOZDHM-UHFFFAOYSA-N
XLogP7.54
TPSA77.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.99
LogP ≤ 57.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 7742654
2-[2-(2-chlorophenyl)-5,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 1413366
ethyl 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetate
CID 7742658
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-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-fluorophenyl)acetamide
CID 20999730
N-(3,5-dichlorophenyl)-2-[6,7-dimethyl-2-(4-methylphenyl)-4-oxochromen-3-yl]oxyacetamide
CID 20999510
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-(2-chlorophenyl)-6,7-dimethyl-3-[(3-methylphenyl)methoxy]chromen-4-one
CID 7742670
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-[2-(4-methoxyphenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxyacetamide
CID 20999810
2-[2-(4-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(2-fluorophenyl)acetamide
CID 20999729

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide?
The IUPAC name of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide (CID 20999683) is 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide is Cc1cc2oc(-c3ccccc3Cl)c(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c2cc1C.
What is the InChIKey of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide?
The InChIKey is UVKQFPZYTOZDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24ClNO5/c1-19-16-25-27(17-20(19)2)38-30(24-10-6-7-11-26(24)32)31(29(25)35)36-18-28(34)33-21-12-14-23(15-13-21)37-22-8-4-3-5-9-22/h3-17H,18H2,1-2H3,(H,33,34).
What are the key properties of 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide?
2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide has a molecular weight of 525.99 g/mol, XLogP of 7.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-chlorophenyl)-6,7-dimethyl-4-oxochromen-3-yl]oxy-N-(4-phenoxyphenyl)acetamide is sourced from PubChem (CID 20999683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).