2-chloro-N-(2,4,6-tribromophenyl)acetamide

C8H5Br3ClNO — CID 3726629

IUPAC2-chloro-N-(2,4,6-tribromophenyl)acetamide
SMILESO=C(CCl)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H5Br3ClNO/c9-4-1-5(10)8(6(11)2-4)13-7(14)3-12/h1-2H,3H2,(H,13,14)
InChIKeySDQSCWQZOOIZAF-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.15
Rot. Bonds2

About 2-chloro-N-(2,4,6-tribromophenyl)acetamide

2-chloro-N-(2,4,6-tribromophenyl)acetamide (PubChem CID 3726629) has the molecular formula C8H5Br3ClNO and a molecular weight of 406.30 g/mol. Its IUPAC name is 2-chloro-N-(2,4,6-tribromophenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,4,6-tribromophenyl)acetamide
PubChem CID3726629
Molecular FormulaC8H5Br3ClNO
Molecular Weight406.30 g/mol
Exact Mass402.76
IUPAC Name2-chloro-N-(2,4,6-tribromophenyl)acetamide
SMILESO=C(CCl)Nc1c(Br)cc(Br)cc1Br
InChIInChI=1S/C8H5Br3ClNO/c9-4-1-5(10)8(6(11)2-4)13-7(14)3-12/h1-2H,3H2,(H,13,14)
InChIKeySDQSCWQZOOIZAF-UHFFFAOYSA-N
XLogP4.15
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,6-tribromophenyl)acetamide?
The IUPAC name of 2-chloro-N-(2,4,6-tribromophenyl)acetamide (CID 3726629) is 2-chloro-N-(2,4,6-tribromophenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,4,6-tribromophenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,4,6-tribromophenyl)acetamide is O=C(CCl)Nc1c(Br)cc(Br)cc1Br.
What is the InChIKey of 2-chloro-N-(2,4,6-tribromophenyl)acetamide?
The InChIKey is SDQSCWQZOOIZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3ClNO/c9-4-1-5(10)8(6(11)2-4)13-7(14)3-12/h1-2H,3H2,(H,13,14).
What are the key properties of 2-chloro-N-(2,4,6-tribromophenyl)acetamide?
2-chloro-N-(2,4,6-tribromophenyl)acetamide has a molecular weight of 406.30 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,6-tribromophenyl)acetamide is sourced from PubChem (CID 3726629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).