N-(2-bromo-4-methylphenyl)-2-chloroacetamide

C9H9BrClNO — CID 720578

IUPACN-(2-bromo-4-methylphenyl)-2-chloroacetamide
SMILESCc1ccc(NC(=O)CCl)c(Br)c1
InChIInChI=1S/C9H9BrClNO/c1-6-2-3-8(7(10)4-6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFNUAOVLAPWPQET-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.93
Rot. Bonds2

About N-(2-bromo-4-methylphenyl)-2-chloroacetamide

N-(2-bromo-4-methylphenyl)-2-chloroacetamide (PubChem CID 720578) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-2-chloroacetamide
PubChem CID720578
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC NameN-(2-bromo-4-methylphenyl)-2-chloroacetamide
SMILESCc1ccc(NC(=O)CCl)c(Br)c1
InChIInChI=1S/C9H9BrClNO/c1-6-2-3-8(7(10)4-6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyFNUAOVLAPWPQET-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.53
LogP ≤ 52.93
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-(2-bromo-4-methylphenyl)-2-chloroacetamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-2-chloroacetamide (CID 720578) is N-(2-bromo-4-methylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-2-chloroacetamide is Cc1ccc(NC(=O)CCl)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-2-chloroacetamide?
The InChIKey is FNUAOVLAPWPQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-6-2-3-8(7(10)4-6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(2-bromo-4-methylphenyl)-2-chloroacetamide?
N-(2-bromo-4-methylphenyl)-2-chloroacetamide has a molecular weight of 262.53 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-2-chloroacetamide is sourced from PubChem (CID 720578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).