N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

C22H12ClF3N2O4 — CID 38846285

IUPACN-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H12ClF3N2O4/c23-16-7-14-15(21(32)13-4-2-1-3-12(13)20(14)31)8-17(16)27-18(29)10-28-9-11(22(24,25)26)5-6-19(28)30/h1-9H,10H2,(H,27,29)
InChIKeyCZKGOQBSUQBEDF-UHFFFAOYSA-N
MW460.80 g/mol
LogP3.93
Rot. Bonds3

About N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide

N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (PubChem CID 38846285) has the molecular formula C22H12ClF3N2O4 and a molecular weight of 460.80 g/mol. Its IUPAC name is N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
PubChem CID38846285
Molecular FormulaC22H12ClF3N2O4
Molecular Weight460.80 g/mol
Exact Mass460.04
IUPAC NameN-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
SMILESO=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O
InChIInChI=1S/C22H12ClF3N2O4/c23-16-7-14-15(21(32)13-4-2-1-3-12(13)20(14)31)8-17(16)27-18(29)10-28-9-11(22(24,25)26)5-6-19(28)30/h1-9H,10H2,(H,27,29)
InChIKeyCZKGOQBSUQBEDF-UHFFFAOYSA-N
XLogP3.93
TPSA85.24 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.80
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-phenylphenyl)acetamide
CID 2477086
2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-propan-2-ylphenyl)acetamide
CID 2623827
1-[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 71700191
N-(3-acetamidophenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7277669
methyl 2-[[2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetyl]amino]benzoate
CID 2623859
N-(2-benzylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623886
N-(2,4-dimethylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2623835
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 2099437
N-(3,5-dimethoxyphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 2109103
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 55308636
2-[3-chloro-2-oxo-5-(trifluoromethyl)-1-pyridinyl]-N-(2-iodophenyl)acetamide
CID 16574639
N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide
CID 7999178

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The IUPAC name of N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide (CID 38846285) is N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide.
What is the SMILES notation for N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The canonical SMILES for N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is O=C(Cn1cc(C(F)(F)F)ccc1=O)Nc1cc2c(cc1Cl)C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
The InChIKey is CZKGOQBSUQBEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H12ClF3N2O4/c23-16-7-14-15(21(32)13-4-2-1-3-12(13)20(14)31)8-17(16)27-18(29)10-28-9-11(22(24,25)26)5-6-19(28)30/h1-9H,10H2,(H,27,29).
What are the key properties of N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide?
N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide has a molecular weight of 460.80 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-9,10-dioxoanthracen-2-yl)-2-[2-oxo-5-(trifluoromethyl)-1-pyridinyl]acetamide is sourced from PubChem (CID 38846285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).