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

C9H9BrClNO — CID 2097895

IUPACN-(4-bromo-2-methylphenyl)-2-chloroacetamide
SMILESCc1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C9H9BrClNO/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyAKNLFHJQVCPHHO-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.93
Rot. Bonds2

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

N-(4-bromo-2-methylphenyl)-2-chloroacetamide (PubChem CID 2097895) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is N-(4-bromo-2-methylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylphenyl)-2-chloroacetamide
PubChem CID2097895
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC NameN-(4-bromo-2-methylphenyl)-2-chloroacetamide
SMILESCc1cc(Br)ccc1NC(=O)CCl
InChIInChI=1S/C9H9BrClNO/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13)
InChIKeyAKNLFHJQVCPHHO-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-(4-bromo-2-methylphenyl)-2-chloroacetamide?
The IUPAC name of N-(4-bromo-2-methylphenyl)-2-chloroacetamide (CID 2097895) is N-(4-bromo-2-methylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(4-bromo-2-methylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(4-bromo-2-methylphenyl)-2-chloroacetamide is Cc1cc(Br)ccc1NC(=O)CCl.
What is the InChIKey of N-(4-bromo-2-methylphenyl)-2-chloroacetamide?
The InChIKey is AKNLFHJQVCPHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-6-4-7(10)2-3-8(6)12-9(13)5-11/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(4-bromo-2-methylphenyl)-2-chloroacetamide?
N-(4-bromo-2-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-(4-bromo-2-methylphenyl)-2-chloroacetamide is sourced from PubChem (CID 2097895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).