2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide

C30H30ClNO7 — CID 126393266

IUPAC2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C30H30ClNO7/c1-3-37-25-15-17(14-18(31)30(25)38-16-26(35)32-19-8-4-5-11-22(19)36-2)27-28-20(33)9-6-12-23(28)39-24-13-7-10-21(34)29(24)27/h4-5,8,11,14-15,27H,3,6-7,9-10,12-13,16H2,1-2H3,(H,32,35)
InChIKeyVTFHKLLQECMEJK-UHFFFAOYSA-N
MW552.02 g/mol
LogP5.89
Rot. Bonds8

About 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide

2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide (PubChem CID 126393266) has the molecular formula C30H30ClNO7 and a molecular weight of 552.02 g/mol. Its IUPAC name is 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide
PubChem CID126393266
Molecular FormulaC30H30ClNO7
Molecular Weight552.02 g/mol
Exact Mass551.17
IUPAC Name2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide
SMILESCCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccccc1OC
InChIInChI=1S/C30H30ClNO7/c1-3-37-25-15-17(14-18(31)30(25)38-16-26(35)32-19-8-4-5-11-22(19)36-2)27-28-20(33)9-6-12-23(28)39-24-13-7-10-21(34)29(24)27/h4-5,8,11,14-15,27H,3,6-7,9-10,12-13,16H2,1-2H3,(H,32,35)
InChIKeyVTFHKLLQECMEJK-UHFFFAOYSA-N
XLogP5.89
TPSA100.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.02
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide with MolForge

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Related Compounds

2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126382700
2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-(2-methylphenyl)acetamide
CID 126261766
2-[2,6-dichloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 126228804
2-[4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-2-ethoxy-6-iodophenoxy]-N-(4-fluorophenyl)acetamide
CID 126366186
2-[2-chloro-6-ethoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-4,5,7,9-tetrahydro-2H-xanthen-9-yl)phenoxy]-N-(4-fluorophenyl)acetamide
CID 126367482
2-[2-bromo-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-6-methoxyphenoxy]-N-(2-chlorophenyl)acetamide
CID 126265816
2-[2-chloro-4-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)-6-methoxyphenoxy]-N-(3-methylphenyl)acetamide
CID 1006854
2-[2-bromo-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]acetic acid
CID 21229667
2-[2-chloro-4-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)-6-methoxyphenoxy]-N-(3-chloro-4-methylphenyl)acetamide
CID 1006823
2-(2-chloro-4-formyl-6-methoxyphenoxy)-N-(2-ethoxyphenyl)acetamide
CID 28913373
2-[4-chloro-2-(1,8-dioxo-2,3,4,5,6,7,9,10-octahydroacridin-9-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126387751
2-[2-(10-ethyl-1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-acridin-9-yl)phenoxy]-N-(2-methoxyphenyl)acetamide
CID 126390435

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide (CID 126393266) is 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide is CCOc1cc(C2C3=C(CCCC3=O)OC3=C2C(=O)CCC3)cc(Cl)c1OCC(=O)Nc1ccccc1OC.
What is the InChIKey of 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
The InChIKey is VTFHKLLQECMEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30ClNO7/c1-3-37-25-15-17(14-18(31)30(25)38-16-26(35)32-19-8-4-5-11-22(19)36-2)27-28-20(33)9-6-12-23(28)39-24-13-7-10-21(34)29(24)27/h4-5,8,11,14-15,27H,3,6-7,9-10,12-13,16H2,1-2H3,(H,32,35).
What are the key properties of 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide?
2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide has a molecular weight of 552.02 g/mol, XLogP of 5.89, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(1,8-dioxo-3,4,5,6,7,9-hexahydro-2H-xanthen-9-yl)-6-ethoxyphenoxy]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 126393266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).