N-(4-bromophenyl)-2-chloroacetamide

C8H7BrClNO — CID 17374

IUPACN-(4-bromophenyl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1
InChIInChI=1S/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
InChIKeyFRZKCMCCQAJIBN-UHFFFAOYSA-N
MW248.51 g/mol
LogP2.63
Rot. Bonds2

About N-(4-bromophenyl)-2-chloroacetamide

N-(4-bromophenyl)-2-chloroacetamide (PubChem CID 17374) has the molecular formula C8H7BrClNO and a molecular weight of 248.51 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-chloroacetamide
PubChem CID17374
Molecular FormulaC8H7BrClNO
Molecular Weight248.51 g/mol
Exact Mass246.94
IUPAC NameN-(4-bromophenyl)-2-chloroacetamide
SMILESO=C(CCl)Nc1ccc(Br)cc1
InChIInChI=1S/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12)
InChIKeyFRZKCMCCQAJIBN-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.51
LogP ≤ 52.63
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-chloroacetamide?
The IUPAC name of N-(4-bromophenyl)-2-chloroacetamide (CID 17374) is N-(4-bromophenyl)-2-chloroacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-chloroacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-chloroacetamide is O=C(CCl)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-chloroacetamide?
The InChIKey is FRZKCMCCQAJIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClNO/c9-6-1-3-7(4-2-6)11-8(12)5-10/h1-4H,5H2,(H,11,12).
What are the key properties of N-(4-bromophenyl)-2-chloroacetamide?
N-(4-bromophenyl)-2-chloroacetamide has a molecular weight of 248.51 g/mol, XLogP of 2.63, 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-chloroacetamide is sourced from PubChem (CID 17374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).