2,2,2-tribromo-N-(4-chlorophenyl)acetamide

C8H5Br3ClNO — CID 10916515

IUPAC2,2,2-tribromo-N-(4-chlorophenyl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(Br)(Br)Br
InChIInChI=1S/C8H5Br3ClNO/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14)
InChIKeyUDEXFWRXILHWLA-UHFFFAOYSA-N
MW406.30 g/mol
LogP4.12
Rot. Bonds1

About 2,2,2-tribromo-N-(4-chlorophenyl)acetamide

2,2,2-tribromo-N-(4-chlorophenyl)acetamide (PubChem CID 10916515) has the molecular formula C8H5Br3ClNO and a molecular weight of 406.30 g/mol. Its IUPAC name is 2,2,2-tribromo-N-(4-chlorophenyl)acetamide.

Molecular Properties

Compound Name2,2,2-tribromo-N-(4-chlorophenyl)acetamide
PubChem CID10916515
Molecular FormulaC8H5Br3ClNO
Molecular Weight406.30 g/mol
Exact Mass402.76
IUPAC Name2,2,2-tribromo-N-(4-chlorophenyl)acetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(Br)(Br)Br
InChIInChI=1S/C8H5Br3ClNO/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14)
InChIKeyUDEXFWRXILHWLA-UHFFFAOYSA-N
XLogP4.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.30
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chloroanilino)-2,2-dimethyl-3-oxopropanoic acid
CID 10681593
N-(4-chlorophenyl)-2,2-dimethylbutanamide
CID 842553
N-(4-acetylphenyl)-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108968994
2,2,2-tribromo-N-pyridin-4-ylacetamide
CID 23576873
N-(4-chlorophenyl)-N'-(4-cyanophenyl)-2,2-dimethylpropanediamide
CID 108969023
2-[(4-chlorophenyl)carbamoyl]-2-ethylbutanoic acid
CID 24823612
N-butan-2-yl-N'-(4-chlorophenyl)-2,2-dimethylpropanediamide
CID 108958264
(E)-N-(4-chlorophenyl)-2,2-dimethyl-4-methylsulfanylbut-3-enamide
CID 15085693
N-[4-(4-chloroanilino)phenyl]acetamide
CID 71397904
N-(4-chlorophenyl)-2-oxopropanamide
CID 4252596
N,N'-bis(4-chlorophenyl)-3-oxopentanediamide
CID 12654887
1-tert-butyl-3-(4-chlorophenyl)urea
CID 709303

Frequently Asked Questions

What is the IUPAC name of 2,2,2-tribromo-N-(4-chlorophenyl)acetamide?
The IUPAC name of 2,2,2-tribromo-N-(4-chlorophenyl)acetamide (CID 10916515) is 2,2,2-tribromo-N-(4-chlorophenyl)acetamide.
What is the SMILES notation for 2,2,2-tribromo-N-(4-chlorophenyl)acetamide?
The canonical SMILES for 2,2,2-tribromo-N-(4-chlorophenyl)acetamide is O=C(Nc1ccc(Cl)cc1)C(Br)(Br)Br.
What is the InChIKey of 2,2,2-tribromo-N-(4-chlorophenyl)acetamide?
The InChIKey is UDEXFWRXILHWLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br3ClNO/c9-8(10,11)7(14)13-6-3-1-5(12)2-4-6/h1-4H,(H,13,14).
What are the key properties of 2,2,2-tribromo-N-(4-chlorophenyl)acetamide?
2,2,2-tribromo-N-(4-chlorophenyl)acetamide has a molecular weight of 406.30 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-tribromo-N-(4-chlorophenyl)acetamide is sourced from PubChem (CID 10916515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).