N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide

C24H20ClNO4 — CID 23471876

IUPACN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)cc1C
InChIInChI=1S/C24H20ClNO4/c1-13-4-6-17(8-14(13)2)29-12-23(27)26-16-5-7-18-22(10-16)30-21-9-15(3)20(25)11-19(21)24(18)28/h4-11H,12H2,1-3H3,(H,26,27)
InChIKeyLSQQGLKRMZVDGN-UHFFFAOYSA-N
MW421.88 g/mol
LogP5.54
Rot. Bonds4

About N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide

N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 23471876) has the molecular formula C24H20ClNO4 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
PubChem CID23471876
Molecular FormulaC24H20ClNO4
Molecular Weight421.88 g/mol
Exact Mass421.11
IUPAC NameN-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)cc1C
InChIInChI=1S/C24H20ClNO4/c1-13-4-6-17(8-14(13)2)29-12-23(27)26-16-5-7-18-22(10-16)30-21-9-15(3)20(25)11-19(21)24(18)28/h4-11H,12H2,1-3H3,(H,26,27)
InChIKeyLSQQGLKRMZVDGN-UHFFFAOYSA-N
XLogP5.54
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.88
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23471868
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(4-methoxyphenyl)acetamide
CID 23471863
2-[6-chloro-2-(4-methoxyphenyl)-7-methyl-4-oxochromen-3-yl]oxy-N-(4-methoxyphenyl)acetamide
CID 21001390
N-(3,4-dimethylphenyl)-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 7699405
2-(4-chlorophenoxy)-N-(4-methyl-2-oxochromen-7-yl)acetamide
CID 2675768
N-(3-chloro-4-cyanophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 2103781
4-chloro-N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)benzamide
CID 23471848
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
N-(3,4-dimethylphenyl)-2-(2-oxo-4-propylchromen-7-yl)oxyacetamide
CID 7643484
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
CID 23472212
N-(3,5-dichlorophenyl)-2-(3,4-dimethylphenoxy)acetamide
CID 879851

Frequently Asked Questions

What is the IUPAC name of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide (CID 23471876) is N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)Nc2ccc3c(=O)c4cc(Cl)c(C)cc4oc3c2)cc1C.
What is the InChIKey of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is LSQQGLKRMZVDGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClNO4/c1-13-4-6-17(8-14(13)2)29-12-23(27)26-16-5-7-18-22(10-16)30-21-9-15(3)20(25)11-19(21)24(18)28/h4-11H,12H2,1-3H3,(H,26,27).
What are the key properties of N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide?
N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 421.88 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7-chloro-6-methyl-9-oxoxanthen-3-yl)-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 23471876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).