2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide

C23H16ClNO4 — CID 2892979

IUPAC2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1Cl
InChIInChI=1S/C23H16ClNO4/c1-13-10-15(7-9-20(13)24)29-12-21(26)25-14-6-8-18-19(11-14)23(28)17-5-3-2-4-16(17)22(18)27/h2-11H,12H2,1H3,(H,25,26)
InChIKeyXFMCFUVTESZXHP-UHFFFAOYSA-N
MW405.84 g/mol
LogP4.44
Rot. Bonds4

About 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide

2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide (PubChem CID 2892979) has the molecular formula C23H16ClNO4 and a molecular weight of 405.84 g/mol. Its IUPAC name is 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
PubChem CID2892979
Molecular FormulaC23H16ClNO4
Molecular Weight405.84 g/mol
Exact Mass405.08
IUPAC Name2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1Cl
InChIInChI=1S/C23H16ClNO4/c1-13-10-15(7-9-20(13)24)29-12-21(26)25-14-6-8-18-19(11-14)23(28)17-5-3-2-4-16(17)22(18)27/h2-11H,12H2,1H3,(H,25,26)
InChIKeyXFMCFUVTESZXHP-UHFFFAOYSA-N
XLogP4.44
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.84
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892762
2-(4-chloro-3-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9140969
2-(4-chloro-3-methylphenoxy)-N-[3-chloro-4-(2-oxochromen-3-yl)phenyl]acetamide
CID 4212244
2-(4-chloro-3-methylphenoxy)-N-(4-methylsulfonylphenyl)acetamide
CID 18076736
2-(4-chloro-3-methylphenoxy)-N-(3-iodophenyl)acetamide
CID 1343394
2-(4-chloro-3-methylphenoxy)-N-(4-ethylphenyl)acetamide
CID 841196
2-(4-chloro-3-methylphenoxy)-N-(4-propoxyphenyl)acetamide
CID 4942951
2-(4-butan-2-ylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 22776102
2-(4-chloro-3-methylphenoxy)-N'-[2-(4-chloro-3-methylphenoxy)acetyl]acetohydrazide
CID 3554706
2-(4-chloro-3-methylphenoxy)-N-(1H-indazol-5-yl)acetamide
CID 17165456
2-(4-chloro-3-methylphenoxy)-N-[4-(propan-2-ylsulfamoyl)phenyl]acetamide
CID 4924502
(2-anilino-2-oxoethyl) 2-(4-chloro-3-methylphenoxy)acetate
CID 1409589

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The IUPAC name of 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide (CID 2892979) is 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide.
What is the SMILES notation for 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The canonical SMILES for 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide is Cc1cc(OCC(=O)Nc2ccc3c(c2)C(=O)c2ccccc2C3=O)ccc1Cl.
What is the InChIKey of 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The InChIKey is XFMCFUVTESZXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO4/c1-13-10-15(7-9-20(13)24)29-12-21(26)25-14-6-8-18-19(11-14)23(28)17-5-3-2-4-16(17)22(18)27/h2-11H,12H2,1H3,(H,25,26).
What are the key properties of 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide has a molecular weight of 405.84 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide is sourced from PubChem (CID 2892979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).