[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate

C19H15Cl2NO3 — CID 118085957

IUPAC[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate
SMILESCC(=O)OCc1ccc2c(C(=O)CCl)cn(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H15Cl2NO3/c1-12(23)25-11-13-2-7-16-17(19(24)9-20)10-22(18(16)8-13)15-5-3-14(21)4-6-15/h2-8,10H,9,11H2,1H3
InChIKeyWMWPTQRWJDSEPD-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.77
Rot. Bonds5

About [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate

[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate (PubChem CID 118085957) has the molecular formula C19H15Cl2NO3 and a molecular weight of 376.24 g/mol. Its IUPAC name is [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate.

Molecular Properties

Compound Name[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate
PubChem CID118085957
Molecular FormulaC19H15Cl2NO3
Molecular Weight376.24 g/mol
Exact Mass375.04
IUPAC Name[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate
SMILESCC(=O)OCc1ccc2c(C(=O)CCl)cn(-c3ccc(Cl)cc3)c2c1
InChIInChI=1S/C19H15Cl2NO3/c1-12(23)25-11-13-2-7-16-17(19(24)9-20)10-22(18(16)8-13)15-5-3-14(21)4-6-15/h2-8,10H,9,11H2,1H3
InChIKeyWMWPTQRWJDSEPD-UHFFFAOYSA-N
XLogP4.77
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[1-[(4-chlorophenyl)methyl]-2-methylindol-5-yl]methyl acetate
CID 67984684
(4-fluoro-3-hydroxyphenyl)methyl acetate
CID 130354561
[6-(acetyloxymethyl)naphthalen-2-yl]methyl acetate
CID 57059015
[5-chloro-2-(2-chloroacetyl)phenyl] acetate
CID 87995855
(3-chloro-4-methylsulfanylphenyl)methyl acetate
CID 24820752
(3,5-dichloro-4-hydroxyphenyl)methyl acetate;ethane
CID 154694821
2-chloro-1-[1-(4-chlorophenyl)-2-methyl-6-(oxetan-3-ylmethyl)indol-3-yl]ethanone
CID 146979641
bis[(4-chlorophenyl)methyl] but-2-enedioate
CID 54391638
(3,4-difluorophenyl)methyl 6,7-dimethoxy-2-(4-methoxyphenyl)-1-oxoisoquinoline-4-carboxylate
CID 53092724
[4-chloro-3-(methoxymethoxy)phenyl]methyl acetate
CID 23074357
1-(4-chlorophenyl)-7-fluoro-4-oxo-N-piperidin-1-ylquinoline-3-carboxamide
CID 71456602
(4-chloro-2-methylphenyl)methyl acetate
CID 91715961

Frequently Asked Questions

What is the IUPAC name of [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate?
The IUPAC name of [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate (CID 118085957) is [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate.
What is the SMILES notation for [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate?
The canonical SMILES for [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate is CC(=O)OCc1ccc2c(C(=O)CCl)cn(-c3ccc(Cl)cc3)c2c1.
What is the InChIKey of [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate?
The InChIKey is WMWPTQRWJDSEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl2NO3/c1-12(23)25-11-13-2-7-16-17(19(24)9-20)10-22(18(16)8-13)15-5-3-14(21)4-6-15/h2-8,10H,9,11H2,1H3.
What are the key properties of [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate?
[3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate has a molecular weight of 376.24 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-chloroacetyl)-1-(4-chlorophenyl)indol-6-yl]methyl acetate is sourced from PubChem (CID 118085957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).