1-(4,5-dichloro-1H-indol-3-yl)propan-2-one

C11H9Cl2NO — CID 82622105

IUPAC1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
SMILESCC(=O)Cc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C11H9Cl2NO/c1-6(15)4-7-5-14-9-3-2-8(12)11(13)10(7)9/h2-3,5,14H,4H2,1H3
InChIKeyWZGICFYOBDLNBQ-UHFFFAOYSA-N
MW242.10 g/mol
LogP3.61
Rot. Bonds2

About 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one

1-(4,5-dichloro-1H-indol-3-yl)propan-2-one (PubChem CID 82622105) has the molecular formula C11H9Cl2NO and a molecular weight of 242.10 g/mol. Its IUPAC name is 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one.

Molecular Properties

Compound Name1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
PubChem CID82622105
Molecular FormulaC11H9Cl2NO
Molecular Weight242.10 g/mol
Exact Mass241.01
IUPAC Name1-(4,5-dichloro-1H-indol-3-yl)propan-2-one
SMILESCC(=O)Cc1c[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C11H9Cl2NO/c1-6(15)4-7-5-14-9-3-2-8(12)11(13)10(7)9/h2-3,5,14H,4H2,1H3
InChIKeyWZGICFYOBDLNBQ-UHFFFAOYSA-N
XLogP3.61
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.10
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methyl-1H-indol-3-yl)propan-2-one
CID 28806622
2-(4,5-dichloro-1H-indol-3-yl)ethylazanium
CID 23271495
2-(4-chloro-5-fluoro-1H-indol-3-yl)acetic acid
CID 118833328
2-(4,5-dichloro-1H-indol-3-yl)acetonitrile
CID 84789914
2-(4-chloro-3-methyl-1H-indol-5-yl)acetic acid
CID 174764483
N-[(3-chloro-4-fluoro-1H-indol-5-yl)methyl]acetamide
CID 145222330
4,5-dichloro-1H-indole-3-sulfonyl chloride
CID 82374073
2-(4-chloro-1H-indol-3-yl)-N-prop-2-ynylacetamide
CID 136544621
1-[6-chloro-5-(methylidene-λ3-iodanyl)-1H-indol-3-yl]propan-2-one
CID 163768775
18-(5-bromo-4-chloro-1H-indol-3-yl)octadecanoic acid
CID 150939614
4-(5-chloro-1H-indol-3-yl)butan-2-one
CID 28806460
propyl 2-(4-chloro-1H-indol-3-yl)acetate
CID 71346867

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one?
The IUPAC name of 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one (CID 82622105) is 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one.
What is the SMILES notation for 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one?
The canonical SMILES for 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one is CC(=O)Cc1c[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one?
The InChIKey is WZGICFYOBDLNBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2NO/c1-6(15)4-7-5-14-9-3-2-8(12)11(13)10(7)9/h2-3,5,14H,4H2,1H3.
What are the key properties of 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one?
1-(4,5-dichloro-1H-indol-3-yl)propan-2-one has a molecular weight of 242.10 g/mol, XLogP of 3.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dichloro-1H-indol-3-yl)propan-2-one is sourced from PubChem (CID 82622105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).