1-(3,4-dichloro-1H-indol-2-yl)ethanone

C10H7Cl2NO — CID 115036474

IUPAC1-(3,4-dichloro-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2cccc(Cl)c2c1Cl
InChIInChI=1S/C10H7Cl2NO/c1-5(14)10-9(12)8-6(11)3-2-4-7(8)13-10/h2-4,13H,1H3
InChIKeyUIZFIWZSUBBRFQ-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.68
Rot. Bonds1

About 1-(3,4-dichloro-1H-indol-2-yl)ethanone

1-(3,4-dichloro-1H-indol-2-yl)ethanone (PubChem CID 115036474) has the molecular formula C10H7Cl2NO and a molecular weight of 228.08 g/mol. Its IUPAC name is 1-(3,4-dichloro-1H-indol-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,4-dichloro-1H-indol-2-yl)ethanone
PubChem CID115036474
Molecular FormulaC10H7Cl2NO
Molecular Weight228.08 g/mol
Exact Mass226.99
IUPAC Name1-(3,4-dichloro-1H-indol-2-yl)ethanone
SMILESCC(=O)c1[nH]c2cccc(Cl)c2c1Cl
InChIInChI=1S/C10H7Cl2NO/c1-5(14)10-9(12)8-6(11)3-2-4-7(8)13-10/h2-4,13H,1H3
InChIKeyUIZFIWZSUBBRFQ-UHFFFAOYSA-N
XLogP3.68
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,5-dichloro-4-oxo-1H-quinoline-2-carboxylic acid
CID 57358889
3,4,5-trichloro-1H-quinolin-2-one
CID 142762208
methyl 3-amino-4-chloro-1H-indole-2-carboxylate
CID 4777731
2-(3,4-dichloro-1H-indol-2-yl)acetic acid
CID 67922081
2-chloro-1-(4-chloro-2-methyl-1H-indol-3-yl)ethanone
CID 53212190
4-chloro-N,N-diethyl-2-methyl-1H-indole-3-carboxamide
CID 110855128
N-(3-acetamidophenyl)-4-chloro-2-methyl-1H-indole-3-carboxamide
CID 110861279
(4-chloro-1H-indazol-3-yl) acetate
CID 70598926
diethyl 2-acetyloxy-2-(2-benzoyl-4-chloro-1H-indol-3-yl)propanedioate
CID 23003601
2,4-dichloro-1H-indole-3-carbaldehyde
CID 75365474
1-(2,7-dichloro-1H-indol-3-yl)ethanone
CID 82269325
(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate
CID 174434583

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichloro-1H-indol-2-yl)ethanone?
The IUPAC name of 1-(3,4-dichloro-1H-indol-2-yl)ethanone (CID 115036474) is 1-(3,4-dichloro-1H-indol-2-yl)ethanone.
What is the SMILES notation for 1-(3,4-dichloro-1H-indol-2-yl)ethanone?
The canonical SMILES for 1-(3,4-dichloro-1H-indol-2-yl)ethanone is CC(=O)c1[nH]c2cccc(Cl)c2c1Cl.
What is the InChIKey of 1-(3,4-dichloro-1H-indol-2-yl)ethanone?
The InChIKey is UIZFIWZSUBBRFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2NO/c1-5(14)10-9(12)8-6(11)3-2-4-7(8)13-10/h2-4,13H,1H3.
What are the key properties of 1-(3,4-dichloro-1H-indol-2-yl)ethanone?
1-(3,4-dichloro-1H-indol-2-yl)ethanone has a molecular weight of 228.08 g/mol, XLogP of 3.68, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichloro-1H-indol-2-yl)ethanone is sourced from PubChem (CID 115036474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).