N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide

C13H8Cl2N2O2 — CID 540764

IUPACN-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c3c(ccc(Cl)c13)NC2=O
InChIInChI=1S/C13H8Cl2N2O2/c1-5(18)16-9-4-7(15)11-12-8(17-13(11)19)3-2-6(14)10(9)12/h2-4H,1H3,(H,16,18)(H,17,19)
InChIKeyNVHQIMDTSINPLD-UHFFFAOYSA-N
MW295.12 g/mol
LogP3.67
Rot. Bonds1

About N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide

N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide (PubChem CID 540764) has the molecular formula C13H8Cl2N2O2 and a molecular weight of 295.12 g/mol. Its IUPAC name is N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide
PubChem CID540764
Molecular FormulaC13H8Cl2N2O2
Molecular Weight295.12 g/mol
Exact Mass294.00
IUPAC NameN-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide
SMILESCC(=O)Nc1cc(Cl)c2c3c(ccc(Cl)c13)NC2=O
InChIInChI=1S/C13H8Cl2N2O2/c1-5(18)16-9-4-7(15)11-12-8(17-13(11)19)3-2-6(14)10(9)12/h2-4H,1H3,(H,16,18)(H,17,19)
InChIKeyNVHQIMDTSINPLD-UHFFFAOYSA-N
XLogP3.67
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.12
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide?
The IUPAC name of N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide (CID 540764) is N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide.
What is the SMILES notation for N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide?
The canonical SMILES for N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide is CC(=O)Nc1cc(Cl)c2c3c(ccc(Cl)c13)NC2=O.
What is the InChIKey of N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide?
The InChIKey is NVHQIMDTSINPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N2O2/c1-5(18)16-9-4-7(15)11-12-8(17-13(11)19)3-2-6(14)10(9)12/h2-4H,1H3,(H,16,18)(H,17,19).
What are the key properties of N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide?
N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide has a molecular weight of 295.12 g/mol, XLogP of 3.67, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dichloro-2-oxo-1H-benzo[cd]indol-5-yl)acetamide is sourced from PubChem (CID 540764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).