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

C9H9BrClNO — CID 66545291

IUPAC2-(2-bromo-4-chlorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C9H9BrClNO/c1-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyBOZZABPSMJYHCZ-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.39
Rot. Bonds2

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

2-(2-bromo-4-chlorophenyl)-N-methylacetamide (PubChem CID 66545291) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-(2-bromo-4-chlorophenyl)-N-methylacetamide.

Molecular Properties

Compound Name2-(2-bromo-4-chlorophenyl)-N-methylacetamide
PubChem CID66545291
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-(2-bromo-4-chlorophenyl)-N-methylacetamide
SMILESCNC(=O)Cc1ccc(Cl)cc1Br
InChIInChI=1S/C9H9BrClNO/c1-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13)
InChIKeyBOZZABPSMJYHCZ-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-4-chlorophenyl)-N-methylacetamide?
The IUPAC name of 2-(2-bromo-4-chlorophenyl)-N-methylacetamide (CID 66545291) is 2-(2-bromo-4-chlorophenyl)-N-methylacetamide.
What is the SMILES notation for 2-(2-bromo-4-chlorophenyl)-N-methylacetamide?
The canonical SMILES for 2-(2-bromo-4-chlorophenyl)-N-methylacetamide is CNC(=O)Cc1ccc(Cl)cc1Br.
What is the InChIKey of 2-(2-bromo-4-chlorophenyl)-N-methylacetamide?
The InChIKey is BOZZABPSMJYHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-12-9(13)4-6-2-3-7(11)5-8(6)10/h2-3,5H,4H2,1H3,(H,12,13).
What are the key properties of 2-(2-bromo-4-chlorophenyl)-N-methylacetamide?
2-(2-bromo-4-chlorophenyl)-N-methylacetamide has a molecular weight of 262.53 g/mol, XLogP of 2.39, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-4-chlorophenyl)-N-methylacetamide is sourced from PubChem (CID 66545291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).