N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

C25H19F3N2O3 — CID 55544286

IUPACN-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C25H19F3N2O3/c1-30(13-15-6-2-5-9-21(15)25(26,27)28)14-22(31)29-16-10-11-19-20(12-16)24(33)18-8-4-3-7-17(18)23(19)32/h2-12H,13-14H2,1H3,(H,29,31)
InChIKeySGGMSNDRRVWBHP-UHFFFAOYSA-N
MW452.43 g/mol
LogP4.55
Rot. Bonds5

About N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 55544286) has the molecular formula C25H19F3N2O3 and a molecular weight of 452.43 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID55544286
Molecular FormulaC25H19F3N2O3
Molecular Weight452.43 g/mol
Exact Mass452.13
IUPAC NameN-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C25H19F3N2O3/c1-30(13-15-6-2-5-9-21(15)25(26,27)28)14-22(31)29-16-10-11-19-20(12-16)24(33)18-8-4-3-7-17(18)23(19)32/h2-12H,13-14H2,1H3,(H,29,31)
InChIKeySGGMSNDRRVWBHP-UHFFFAOYSA-N
XLogP4.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.43
LogP ≤ 54.55
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-[(2-bromophenyl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 26600898
N-(3,4-dichlorophenyl)-2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]acetamide
CID 27252298
N-(9,10-dioxoanthracen-2-yl)propanamide
CID 2871272
N-(cyclopentylcarbamoyl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 55543794
N-(3,4-difluorophenyl)-2-[methyl-[(2-methylphenyl)methyl]amino]acetamide
CID 8964034
N-(3-chloro-4-fluorophenyl)-2-[(2-chlorophenyl)methyl-methylamino]acetamide
CID 9057792
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
CID 24664958
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
2-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl-methylamino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 7480376
2-[methyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-(2-phenylphenyl)acetamide
CID 17427414
(2S)-N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[(2-methylphenyl)methyl]amino]propanamide
CID 8516700
N-(9,10-dioxoanthracen-2-yl)acetamide;ethane
CID 143974024

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 55544286) is N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is CN(CC(=O)Nc1ccc2c(c1)C(=O)c1ccccc1C2=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is SGGMSNDRRVWBHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19F3N2O3/c1-30(13-15-6-2-5-9-21(15)25(26,27)28)14-22(31)29-16-10-11-19-20(12-16)24(33)18-8-4-3-7-17(18)23(19)32/h2-12H,13-14H2,1H3,(H,29,31).
What are the key properties of N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 452.43 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-2-yl)-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 55544286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).