2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide

C25H22ClNO4 — CID 23472212

IUPAC2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
InChIInChI=1S/C25H22ClNO4/c1-25(2,3)15-7-10-17(11-8-15)30-14-22(28)27-16-9-12-18-21(13-16)31-24-19(23(18)29)5-4-6-20(24)26/h4-13H,14H2,1-3H3,(H,27,28)
InChIKeyRXYGTVXDZRQVBO-UHFFFAOYSA-N
MW435.91 g/mol
LogP5.91
Rot. Bonds4

About 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide

2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide (PubChem CID 23472212) has the molecular formula C25H22ClNO4 and a molecular weight of 435.91 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
PubChem CID23472212
Molecular FormulaC25H22ClNO4
Molecular Weight435.91 g/mol
Exact Mass435.12
IUPAC Name2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide
SMILESCC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1
InChIInChI=1S/C25H22ClNO4/c1-25(2,3)15-7-10-17(11-8-15)30-14-22(28)27-16-9-12-18-21(13-16)31-24-19(23(18)29)5-4-6-20(24)26/h4-13H,14H2,1-3H3,(H,27,28)
InChIKeyRXYGTVXDZRQVBO-UHFFFAOYSA-N
XLogP5.91
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.91
LogP ≤ 55.91
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

2-(4-tert-butylphenoxy)-N-(5-methyl-9-oxoxanthen-3-yl)acetamide
CID 23472134
2-(4-bromophenoxy)-N-(5-methoxy-9-oxoxanthen-3-yl)acetamide
CID 4972779
2-(4-ethylphenoxy)-N-(9-oxoxanthen-3-yl)acetamide
CID 23472176
N-(5-methyl-9-oxoxanthen-3-yl)-2-(3-methylphenoxy)acetamide
CID 23472131
2-chloro-N-(5-chloro-9-oxoxanthen-3-yl)benzamide
CID 4901432
2-(2,6-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472079
N-[3-[[2-(4-tert-butylphenoxy)acetyl]amino]phenyl]-2-chlorobenzamide
CID 23796445
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-(3,4-dimethylphenoxy)acetamide
CID 23471876
N-(5-chloro-9-oxoxanthen-3-yl)-2-(2-chlorophenoxy)propanamide
CID 23472223
2-(2,3-dimethylphenoxy)-N-(5-fluoro-9-oxoxanthen-3-yl)acetamide
CID 23472081
N-dibenzofuran-3-yl-2-(4-propan-2-ylphenoxy)acetamide
CID 3150701

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide?
The IUPAC name of 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide (CID 23472212) is 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide?
The canonical SMILES for 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide is CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(=O)c4cccc(Cl)c4oc3c2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide?
The InChIKey is RXYGTVXDZRQVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClNO4/c1-25(2,3)15-7-10-17(11-8-15)30-14-22(28)27-16-9-12-18-21(13-16)31-24-19(23(18)29)5-4-6-20(24)26/h4-13H,14H2,1-3H3,(H,27,28).
What are the key properties of 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide?
2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide has a molecular weight of 435.91 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-N-(5-chloro-9-oxoxanthen-3-yl)acetamide is sourced from PubChem (CID 23472212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).