N-(4-bromophenyl)-2,2-dichloroacetamide

C8H6BrCl2NO — CID 532122

IUPACN-(4-bromophenyl)-2,2-dichloroacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(Cl)Cl
InChIInChI=1S/C8H6BrCl2NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
InChIKeyJCMYDJFPADBOJV-UHFFFAOYSA-N
MW282.95 g/mol
LogP3.19
Rot. Bonds2

About N-(4-bromophenyl)-2,2-dichloroacetamide

N-(4-bromophenyl)-2,2-dichloroacetamide (PubChem CID 532122) has the molecular formula C8H6BrCl2NO and a molecular weight of 282.95 g/mol. Its IUPAC name is N-(4-bromophenyl)-2,2-dichloroacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2,2-dichloroacetamide
PubChem CID532122
Molecular FormulaC8H6BrCl2NO
Molecular Weight282.95 g/mol
Exact Mass280.90
IUPAC NameN-(4-bromophenyl)-2,2-dichloroacetamide
SMILESO=C(Nc1ccc(Br)cc1)C(Cl)Cl
InChIInChI=1S/C8H6BrCl2NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13)
InChIKeyJCMYDJFPADBOJV-UHFFFAOYSA-N
XLogP3.19
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.95
LogP ≤ 53.19
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 N-(4-bromophenyl)-2,2-dichloroacetamide?
The IUPAC name of N-(4-bromophenyl)-2,2-dichloroacetamide (CID 532122) is N-(4-bromophenyl)-2,2-dichloroacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2,2-dichloroacetamide?
The canonical SMILES for N-(4-bromophenyl)-2,2-dichloroacetamide is O=C(Nc1ccc(Br)cc1)C(Cl)Cl.
What is the InChIKey of N-(4-bromophenyl)-2,2-dichloroacetamide?
The InChIKey is JCMYDJFPADBOJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6BrCl2NO/c9-5-1-3-6(4-2-5)12-8(13)7(10)11/h1-4,7H,(H,12,13).
What are the key properties of N-(4-bromophenyl)-2,2-dichloroacetamide?
N-(4-bromophenyl)-2,2-dichloroacetamide has a molecular weight of 282.95 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2,2-dichloroacetamide is sourced from PubChem (CID 532122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).