(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate

C16H11BrClNO2 — CID 26212995

IUPAC(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C16H11BrClNO2/c17-13-8-11(18)5-6-15(13)21-16(20)7-10-9-19-14-4-2-1-3-12(10)14/h1-6,8-9,19H,7H2
InChIKeyLAFWXJJAZZPIJK-UHFFFAOYSA-N
MW364.63 g/mol
LogP4.73
Rot. Bonds3

About (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate

(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate (PubChem CID 26212995) has the molecular formula C16H11BrClNO2 and a molecular weight of 364.63 g/mol. Its IUPAC name is (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate
PubChem CID26212995
Molecular FormulaC16H11BrClNO2
Molecular Weight364.63 g/mol
Exact Mass362.97
IUPAC Name(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate
SMILESO=C(Cc1c[nH]c2ccccc12)Oc1ccc(Cl)cc1Br
InChIInChI=1S/C16H11BrClNO2/c17-13-8-11(18)5-6-15(13)21-16(20)7-10-9-19-14-4-2-1-3-12(10)14/h1-6,8-9,19H,7H2
InChIKeyLAFWXJJAZZPIJK-UHFFFAOYSA-N
XLogP4.73
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.63
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(1H-indol-3-yl)-2-oxoethyl] 2-(2-bromo-4-chlorophenoxy)acetate
CID 3496931
chloro 2-(1H-indol-3-yl)acetate
CID 174694401
(2-bromo-4-chlorophenyl) 2-naphthalen-1-yloxyacetate
CID 1299015
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 2-(1H-indol-3-yl)acetate
CID 27911555
N'-[2-(2,5-dichlorophenoxy)acetyl]-2-(1H-indol-3-yl)acetohydrazide
CID 24563218
(3-chlorophenyl) 2-(5-methoxy-1H-indol-3-yl)acetate
CID 78874182
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
[2-[4-chloro-2-(trifluoromethyl)anilino]-2-oxoethyl] 2-(1H-indol-3-yl)acetate
CID 4853997
methyl 2-[(5-chloro-2-hydroxyphenyl)methylideneamino]-3-(1H-indol-3-yl)propanoate
CID 4049911
2,3,4-tris[[2-(1H-indol-3-yl)acetyl]oxy]butyl 2-(1H-indol-3-yl)acetate
CID 146458063
(2S)-2-[(2,4-dichlorophenyl)methylazaniumyl]-3-(1H-indol-3-yl)propanoate
CID 51987499
methyl (2S)-2-[[2-(4-chlorophenyl)acetyl]amino]-3-(1H-indol-3-yl)propanoate
CID 40819780

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate?
The IUPAC name of (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate (CID 26212995) is (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate?
The canonical SMILES for (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate is O=C(Cc1c[nH]c2ccccc12)Oc1ccc(Cl)cc1Br.
What is the InChIKey of (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate?
The InChIKey is LAFWXJJAZZPIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11BrClNO2/c17-13-8-11(18)5-6-15(13)21-16(20)7-10-9-19-14-4-2-1-3-12(10)14/h1-6,8-9,19H,7H2.
What are the key properties of (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate?
(2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate has a molecular weight of 364.63 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-chlorophenyl) 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 26212995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).