6-chloro-1-phenacylindole-2,3-dione

C16H10ClNO3 — CID 62023849

IUPAC6-chloro-1-phenacylindole-2,3-dione
SMILESO=C(CN1C(=O)C(=O)c2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C16H10ClNO3/c17-11-6-7-12-13(8-11)18(16(21)15(12)20)9-14(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyRKGQKKSYAJUCFB-UHFFFAOYSA-N
MW299.71 g/mol
LogP2.75
Rot. Bonds3

About 6-chloro-1-phenacylindole-2,3-dione

6-chloro-1-phenacylindole-2,3-dione (PubChem CID 62023849) has the molecular formula C16H10ClNO3 and a molecular weight of 299.71 g/mol. Its IUPAC name is 6-chloro-1-phenacylindole-2,3-dione.

Molecular Properties

Compound Name6-chloro-1-phenacylindole-2,3-dione
PubChem CID62023849
Molecular FormulaC16H10ClNO3
Molecular Weight299.71 g/mol
Exact Mass299.03
IUPAC Name6-chloro-1-phenacylindole-2,3-dione
SMILESO=C(CN1C(=O)C(=O)c2ccc(Cl)cc21)c1ccccc1
InChIInChI=1S/C16H10ClNO3/c17-11-6-7-12-13(8-11)18(16(21)15(12)20)9-14(19)10-4-2-1-3-5-10/h1-8H,9H2
InChIKeyRKGQKKSYAJUCFB-UHFFFAOYSA-N
XLogP2.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.71
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-chloro-1-(2,3-dichloroprop-2-enyl)indole-2,3-dione
CID 79173662
1-[2-(3-bromothiophen-2-yl)-2-oxoethyl]-6-chloroindole-2,3-dione
CID 62023850
6-chloro-1-(5-hydroxypentyl)indole-2,3-dione
CID 55134041
6-chloro-1-(5-oxohexyl)indole-2,3-dione
CID 62023661
6-chloro-1-[(3-chlorophenyl)methyl]indole-2,3-dione
CID 61356762
6-chloro-1-[2-(2-hydroxyethoxy)ethyl]indole-2,3-dione
CID 61357091
methyl 4-(6-chloro-2,3-dioxoindol-1-yl)butanoate
CID 55138801
6-chloro-1-hept-6-enylindole-2,3-dione
CID 107007431
1-[2-(3-nitrophenyl)-2-oxoethyl]indole-2,3-dione
CID 3906745
8-chloro-5-phenacyl-2,3-dihydro-1,5-benzothiazepin-4-one
CID 10382057
7-chloro-1-phenacyl-5-phenyl-3H-1,4-benzodiazepin-2-one
CID 50852055
6-chloro-1-[(4-fluorophenyl)methyl]indole-2,3-dione
CID 61356251

Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenacylindole-2,3-dione?
The IUPAC name of 6-chloro-1-phenacylindole-2,3-dione (CID 62023849) is 6-chloro-1-phenacylindole-2,3-dione.
What is the SMILES notation for 6-chloro-1-phenacylindole-2,3-dione?
The canonical SMILES for 6-chloro-1-phenacylindole-2,3-dione is O=C(CN1C(=O)C(=O)c2ccc(Cl)cc21)c1ccccc1.
What is the InChIKey of 6-chloro-1-phenacylindole-2,3-dione?
The InChIKey is RKGQKKSYAJUCFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClNO3/c17-11-6-7-12-13(8-11)18(16(21)15(12)20)9-14(19)10-4-2-1-3-5-10/h1-8H,9H2.
What are the key properties of 6-chloro-1-phenacylindole-2,3-dione?
6-chloro-1-phenacylindole-2,3-dione has a molecular weight of 299.71 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-phenacylindole-2,3-dione is sourced from PubChem (CID 62023849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).