2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide

C23H15Cl2NO4 — CID 2892762

IUPAC2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H15Cl2NO4/c1-12-8-13(24)9-19(25)23(12)30-11-20(27)26-14-6-7-17-18(10-14)22(29)16-5-3-2-4-15(16)21(17)28/h2-10H,11H2,1H3,(H,26,27)
InChIKeyKIGMHGZUFYHCRZ-UHFFFAOYSA-N
MW440.28 g/mol
LogP5.09
Rot. Bonds4

About 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide

2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide (PubChem CID 2892762) has the molecular formula C23H15Cl2NO4 and a molecular weight of 440.28 g/mol. Its IUPAC name is 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide.

Molecular Properties

Compound Name2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
PubChem CID2892762
Molecular FormulaC23H15Cl2NO4
Molecular Weight440.28 g/mol
Exact Mass439.04
IUPAC Name2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
SMILESCc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C23H15Cl2NO4/c1-12-8-13(24)9-19(25)23(12)30-11-20(27)26-14-6-7-17-18(10-14)22(29)16-5-3-2-4-15(16)21(17)28/h2-10H,11H2,1H3,(H,26,27)
InChIKeyKIGMHGZUFYHCRZ-UHFFFAOYSA-N
XLogP5.09
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.28
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide
CID 2892979
2-(2,4-dichloro-6-methylphenoxy)-N-(3,5-dimethylphenyl)acetamide
CID 1121099
2-(2,4-dichloro-6-methylphenoxy)-N-(3,4-dimethoxyphenyl)acetamide
CID 1348476
2-(4-chloro-2,6-dimethylphenoxy)-N-(3-chloro-4-methylphenyl)acetamide
CID 7900401
N-(3-chloro-4-pyrrolidin-1-ylphenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 4043146
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-2-ylacetamide
CID 2892737
2-(2,4-dichloro-6-methylphenoxy)-N-pyridin-3-ylacetamide
CID 738217
2-(2-bromo-4,6-dichlorophenoxy)-N-(3,4-dimethylphenyl)acetamide
CID 17095271
N-(2-amino-4-chlorophenyl)-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 91689111
N-[3-chloro-4-[4-(2-methylbenzoyl)piperazin-1-yl]phenyl]-2-(2,4-dichloro-6-methylphenoxy)acetamide
CID 43914368
N-[4-[(2R)-butan-2-yl]phenyl]-2-(4-chloro-2,6-dimethylphenoxy)acetamide
CID 7935639
N-(4-methoxyphenyl)-2-(2,4,6-trichlorophenoxy)acetamide
CID 7275209

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The IUPAC name of 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide (CID 2892762) is 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide.
What is the SMILES notation for 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The canonical SMILES for 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide is Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O.
What is the InChIKey of 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
The InChIKey is KIGMHGZUFYHCRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Cl2NO4/c1-12-8-13(24)9-19(25)23(12)30-11-20(27)26-14-6-7-17-18(10-14)22(29)16-5-3-2-4-15(16)21(17)28/h2-10H,11H2,1H3,(H,26,27).
What are the key properties of 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide?
2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide has a molecular weight of 440.28 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichloro-6-methylphenoxy)-N-(9,10-dioxoanthracen-2-yl)acetamide is sourced from PubChem (CID 2892762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).