N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide

C25H21FN2O4 — CID 24507647

IUPACN-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H21FN2O4/c1-28(13-14-32-17-11-9-16(26)10-12-17)15-22(29)27-21-8-4-7-20-23(21)25(31)19-6-3-2-5-18(19)24(20)30/h2-12H,13-15H2,1H3,(H,27,29)
InChIKeyZCOBKULPXHEDNU-UHFFFAOYSA-N
MW432.45 g/mol
LogP3.55
Rot. Bonds7

About N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide

N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide (PubChem CID 24507647) has the molecular formula C25H21FN2O4 and a molecular weight of 432.45 g/mol. Its IUPAC name is N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide.

Molecular Properties

Compound NameN-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
PubChem CID24507647
Molecular FormulaC25H21FN2O4
Molecular Weight432.45 g/mol
Exact Mass432.15
IUPAC NameN-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
SMILESCN(CCOc1ccc(F)cc1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C25H21FN2O4/c1-28(13-14-32-17-11-9-16(26)10-12-17)15-22(29)27-21-8-4-7-20-23(21)25(31)19-6-3-2-5-18(19)24(20)30/h2-12H,13-15H2,1H3,(H,27,29)
InChIKeyZCOBKULPXHEDNU-UHFFFAOYSA-N
XLogP3.55
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.45
LogP ≤ 53.55
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

N-(9,10-dioxoanthracen-1-yl)-2-[(4-ethoxyphenyl)methyl-methylamino]acetamide
CID 27204408
N-(9,10-dioxoanthracen-1-yl)-2-[(2-fluorophenyl)methyl-methylamino]acetamide
CID 9035250
N-(3-acetylphenyl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide
CID 18094840
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
N-(2-chloro-4-fluorophenyl)-2-[methyl(2-phenoxyethyl)amino]acetamide
CID 8797671
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2,5-difluorophenyl)acetamide
CID 4824878
methyl 2-[[2-[[8-[[2-[(2-methoxy-2-oxoethyl)-methylamino]acetyl]amino]-9,10-dioxoanthracen-1-yl]amino]-2-oxoethyl]-methylamino]acetate
CID 46244694
N-(4-fluorophenyl)-2-[[2-[methyl(2-phenoxyethyl)amino]acetyl]amino]acetamide
CID 8797411
2-[(2-chlorophenyl)methyl-methylamino]-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 9057937
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N-[2-(2-methylphenyl)ethyl]acetamide
CID 18094863
2-[2-(3-bromophenoxy)ethyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9252759
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-(2-ethoxyphenyl)acetamide
CID 9252381

Frequently Asked Questions

What is the IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The IUPAC name of N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide (CID 24507647) is N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide.
What is the SMILES notation for N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The canonical SMILES for N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide is CN(CCOc1ccc(F)cc1)CC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
The InChIKey is ZCOBKULPXHEDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O4/c1-28(13-14-32-17-11-9-16(26)10-12-17)15-22(29)27-21-8-4-7-20-23(21)25(31)19-6-3-2-5-18(19)24(20)30/h2-12H,13-15H2,1H3,(H,27,29).
What are the key properties of N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide?
N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide has a molecular weight of 432.45 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(9,10-dioxoanthracen-1-yl)-2-[2-(4-fluorophenoxy)ethyl-methylamino]acetamide is sourced from PubChem (CID 24507647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).