N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide

C18H12Br2N2O4 — CID 4183383

IUPACN-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2c1C(=O)c1c(NC(C)=O)ccc(Br)c1C2=O
InChIInChI=1S/C18H12Br2N2O4/c1-7(23)21-11-5-3-9(19)13-15(11)18(26)16-12(22-8(2)24)6-4-10(20)14(16)17(13)25/h3-6H,1-2H3,(H,21,23)(H,22,24)
InChIKeySKKBQVLDRINRSW-UHFFFAOYSA-N
MW480.11 g/mol
LogP3.90
Rot. Bonds2

About N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide

N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide (PubChem CID 4183383) has the molecular formula C18H12Br2N2O4 and a molecular weight of 480.11 g/mol. Its IUPAC name is N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide.

Molecular Properties

Compound NameN-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
PubChem CID4183383
Molecular FormulaC18H12Br2N2O4
Molecular Weight480.11 g/mol
Exact Mass477.92
IUPAC NameN-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide
SMILESCC(=O)Nc1ccc(Br)c2c1C(=O)c1c(NC(C)=O)ccc(Br)c1C2=O
InChIInChI=1S/C18H12Br2N2O4/c1-7(23)21-11-5-3-9(19)13-15(11)18(26)16-12(22-8(2)24)6-4-10(20)14(16)17(13)25/h3-6H,1-2H3,(H,21,23)(H,22,24)
InChIKeySKKBQVLDRINRSW-UHFFFAOYSA-N
XLogP3.90
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.11
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-Amino-4-bromoanthraquinone
CID 627326
3H-Naphtho[1,2,3-de]quinoline-2,7-dione, 6-bromo-3-methyl-
CID 66492
9,10-Anthracenedione, 1-bromo-4-(methylamino)-
CID 31418
1-Amino-4-bromo-2-methylanthraquinone
CID 66480
N-(4-bromo-2-methylphenyl)-2-naphthamide
CID 823850
N,N'-(9,10-dihydro-9,10-dioxo-1,4-anthracenediyl)bisacetamide
CID 23032
1-Amino-6-bromo-3-methyl-3H-naphtho[1,2,3-de]quinoline-2,7-dione
CID 1353238
2-bromo-N-(5,6,7,8-tetrahydronaphthalen-1-yl)benzamide
CID 795594
N-Anthraquinon-1-ylacetamide
CID 76760
Acetamide, N,N'-bis(9,10-dihydro-9,10-dioxo-1,5-anthracenediyl)bis-
CID 67208
N-(9,10-Dioxo-9,10-dihydro-1-anthracenyl)butanamide
CID 4269884
3H-Naphtho[1,2,3-de]quinoline-1-carbonitrile, 6-bromo-2,7-dihydro-3-methyl-2,7-dioxo-
CID 11122075

Frequently Asked Questions

What is the IUPAC name of N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide?
The IUPAC name of N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide (CID 4183383) is N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide.
What is the SMILES notation for N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide?
The canonical SMILES for N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide is CC(=O)Nc1ccc(Br)c2c1C(=O)c1c(NC(C)=O)ccc(Br)c1C2=O.
What is the InChIKey of N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide?
The InChIKey is SKKBQVLDRINRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Br2N2O4/c1-7(23)21-11-5-3-9(19)13-15(11)18(26)16-12(22-8(2)24)6-4-10(20)14(16)17(13)25/h3-6H,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide?
N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide has a molecular weight of 480.11 g/mol, XLogP of 3.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-acetamido-4,5-dibromo-9,10-dioxoanthracen-1-yl)acetamide is sourced from PubChem (CID 4183383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).