(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate

C17H11Cl2NO3 — CID 174434583

IUPAC(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate
SMILESCC(=O)Oc1c(C(=O)c2ccccc2)[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C17H11Cl2NO3/c1-9(21)23-17-13-12(8-7-11(18)14(13)19)20-15(17)16(22)10-5-3-2-4-6-10/h2-8,20H,1H3
InChIKeyACORZEYTNSHNFM-UHFFFAOYSA-N
MW348.19 g/mol
LogP4.63
Rot. Bonds3

About (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate

(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate (PubChem CID 174434583) has the molecular formula C17H11Cl2NO3 and a molecular weight of 348.19 g/mol. Its IUPAC name is (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate.

Molecular Properties

Compound Name(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate
PubChem CID174434583
Molecular FormulaC17H11Cl2NO3
Molecular Weight348.19 g/mol
Exact Mass347.01
IUPAC Name(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate
SMILESCC(=O)Oc1c(C(=O)c2ccccc2)[nH]c2ccc(Cl)c(Cl)c12
InChIInChI=1S/C17H11Cl2NO3/c1-9(21)23-17-13-12(8-7-11(18)14(13)19)20-15(17)16(22)10-5-3-2-4-6-10/h2-8,20H,1H3
InChIKeyACORZEYTNSHNFM-UHFFFAOYSA-N
XLogP4.63
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-acetyloxy-2-(2-benzoyl-4-chloro-1H-indol-3-yl)propanedioate
CID 23003601
[6-chloro-2-(pyridine-3-carbonyl)-1H-indol-3-yl] acetate
CID 70285097
N-[(2-benzoyl-6-chloro-1H-indol-3-yl)methyl]acetamide
CID 174434623
(2,3-dichloro-6-methylphenyl) acetate
CID 59058146
N-(2-benzoyl-5,6-dimethoxy-1H-indol-3-yl)acetamide
CID 18367970
2-benzoyl-1H-indole-3,4,5-tricarbaldehyde
CID 172559621
N-(2-benzoyl-6-chloro-1H-indol-3-yl)-3-oxobutanamide
CID 18368229
chloro acetate;chloro benzoate
CID 68991315
1-(3,4-dichloro-1H-indol-2-yl)ethanone
CID 115036474
N-(2-benzoyl-6-fluoro-1H-indol-3-yl)acetamide
CID 18368049
(2-benzoyl-6-ethyl-1H-indol-3-yl)-phenylmethanone
CID 134938636
(2,3-dichloro-6-fluorophenyl)-phenylmethanone
CID 171366473

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate?
The IUPAC name of (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate (CID 174434583) is (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate.
What is the SMILES notation for (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate?
The canonical SMILES for (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate is CC(=O)Oc1c(C(=O)c2ccccc2)[nH]c2ccc(Cl)c(Cl)c12.
What is the InChIKey of (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate?
The InChIKey is ACORZEYTNSHNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2NO3/c1-9(21)23-17-13-12(8-7-11(18)14(13)19)20-15(17)16(22)10-5-3-2-4-6-10/h2-8,20H,1H3.
What are the key properties of (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate?
(2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate has a molecular weight of 348.19 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-4,5-dichloro-1H-indol-3-yl) acetate is sourced from PubChem (CID 174434583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).