6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide

C20H18BrNO3 — CID 44614049

IUPAC6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
SMILESO=C(CCCCCBr)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18BrNO3/c21-12-5-1-2-11-17(23)22-16-10-6-9-15-18(16)20(25)14-8-4-3-7-13(14)19(15)24/h3-4,6-10H,1-2,5,11-12H2,(H,22,23)
InChIKeyDUGLXGCCGWAEDL-UHFFFAOYSA-N
MW400.27 g/mol
LogP4.36
Rot. Bonds6

About 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide

6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide (PubChem CID 44614049) has the molecular formula C20H18BrNO3 and a molecular weight of 400.27 g/mol. Its IUPAC name is 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide.

Molecular Properties

Compound Name6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
PubChem CID44614049
Molecular FormulaC20H18BrNO3
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide
SMILESO=C(CCCCCBr)Nc1cccc2c1C(=O)c1ccccc1C2=O
InChIInChI=1S/C20H18BrNO3/c21-12-5-1-2-11-17(23)22-16-10-6-9-15-18(16)20(25)14-8-4-3-7-13(14)19(15)24/h3-4,6-10H,1-2,5,11-12H2,(H,22,23)
InChIKeyDUGLXGCCGWAEDL-UHFFFAOYSA-N
XLogP4.36
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.27
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(9,10-dioxoanthracen-1-yl)decanamide
CID 4282760
2-bromo-N-(9,10-dioxoanthracen-1-yl)acetamide
CID 24884684
4-amino-N-[5-(4-aminobutanoylamino)-9,10-dioxoanthracen-1-yl]butanamide
CID 102155792
11-bromo-N-(2-methylphenyl)undecanamide
CID 51058287
[2-(5-bromopentanoylamino)phenyl]carbamic acid
CID 175518912
7-bromo-N-phenylheptanamide
CID 11266084
3-(2-hydroxyethylamino)-N-[5-[3-(2-hydroxyethylamino)propanoylamino]-9,10-dioxoanthracen-1-yl]propanamide
CID 102155791
N-(9,10-dioxoanthracen-1-yl)-2-(dipropylamino)acetamide
CID 34599401
N-(9,10-dioxoanthracen-1-yl)-3-(4-methoxyphenyl)propanamide
CID 3318461
N-(9,10-dioxoanthracen-1-yl)-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151686
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
[2-[(9,10-dioxoanthracen-1-yl)amino]-2-oxoethyl]-(2-hydroxyethyl)azanium
CID 7343695

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide?
The IUPAC name of 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide (CID 44614049) is 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide.
What is the SMILES notation for 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide?
The canonical SMILES for 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide is O=C(CCCCCBr)Nc1cccc2c1C(=O)c1ccccc1C2=O.
What is the InChIKey of 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide?
The InChIKey is DUGLXGCCGWAEDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrNO3/c21-12-5-1-2-11-17(23)22-16-10-6-9-15-18(16)20(25)14-8-4-3-7-13(14)19(15)24/h3-4,6-10H,1-2,5,11-12H2,(H,22,23).
What are the key properties of 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide?
6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide has a molecular weight of 400.27 g/mol, XLogP of 4.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(9,10-dioxoanthracen-1-yl)hexanamide is sourced from PubChem (CID 44614049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).