N-(4-bromo-2-chlorophenyl)acetamide

C8H7BrClNO — CID 610167

IUPACN-(4-bromo-2-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKeyMITWNEIUIPGZKR-UHFFFAOYSA-N
MW248.51 g/mol
LogP3.06
Rot. Bonds1

About N-(4-bromo-2-chlorophenyl)acetamide

N-(4-bromo-2-chlorophenyl)acetamide (PubChem CID 610167) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is N-(4-bromo-2-chlorophenyl)acetamide.

Molecular Properties

Compound NameN-(4-bromo-2-chlorophenyl)acetamide
PubChem CID610167
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC NameN-(4-bromo-2-chlorophenyl)acetamide
SMILESCC(=O)Nc1ccc(Br)cc1Cl
InChIInChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12)
InChIKeyMITWNEIUIPGZKR-UHFFFAOYSA-N
XLogP3.06
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-chlorophenyl)acetamide?
The IUPAC name of N-(4-bromo-2-chlorophenyl)acetamide (CID 610167) is N-(4-bromo-2-chlorophenyl)acetamide.
What is the SMILES notation for N-(4-bromo-2-chlorophenyl)acetamide?
The canonical SMILES for N-(4-bromo-2-chlorophenyl)acetamide is CC(=O)Nc1ccc(Br)cc1Cl.
What is the InChIKey of N-(4-bromo-2-chlorophenyl)acetamide?
The InChIKey is MITWNEIUIPGZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-4H,1H3,(H,11,12).
What are the key properties of N-(4-bromo-2-chlorophenyl)acetamide?
N-(4-bromo-2-chlorophenyl)acetamide has a molecular weight of 248.51 g/mol, XLogP of 3.06, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-chlorophenyl)acetamide is sourced from PubChem (CID 610167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).