2-bromo-N-(2-chloro-5-methylphenyl)acetamide

C9H9BrClNO — CID 82111012

IUPAC2-bromo-N-(2-chloro-5-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CBr)c1
InChIInChI=1S/C9H9BrClNO/c1-6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyOPDHWLPCQNMNEG-UHFFFAOYSA-N
MW262.53 g/mol
LogP2.98
Rot. Bonds2

About 2-bromo-N-(2-chloro-5-methylphenyl)acetamide

2-bromo-N-(2-chloro-5-methylphenyl)acetamide (PubChem CID 82111012) has the molecular formula C9H9BrClNO and a molecular weight of 262.53 g/mol. Its IUPAC name is 2-bromo-N-(2-chloro-5-methylphenyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(2-chloro-5-methylphenyl)acetamide
PubChem CID82111012
Molecular FormulaC9H9BrClNO
Molecular Weight262.53 g/mol
Exact Mass260.96
IUPAC Name2-bromo-N-(2-chloro-5-methylphenyl)acetamide
SMILESCc1ccc(Cl)c(NC(=O)CBr)c1
InChIInChI=1S/C9H9BrClNO/c1-6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13)
InChIKeyOPDHWLPCQNMNEG-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(2-chloro-4-methylphenyl)acetamide
CID 63678891
N-(2-chloro-5-methylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119705341
N-(2-chloro-5-methylphenyl)-2-methoxyacetamide
CID 103769395
N-(2-chloro-5-methylphenyl)-3-hydrazinyl-3-oxopropanamide
CID 25239160
N-(2-chloro-5-methylphenyl)-3-(methylamino)propanamide
CID 83628932
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(2-chloro-5-methylphenyl)-4-(methylamino)butanamide;hydrochloride
CID 119705332
N-(2-chloro-5-methylphenyl)cyclopropanecarboxamide
CID 70795609
N-(2-chloro-5-methylphenyl)-2-(4-cyanophenyl)acetamide
CID 103769385
tert-butyl 4-(2-chloro-5-methylanilino)-4-oxobutanoate
CID 106812284
2-bromo-N-(3-chloro-2-methylphenyl)acetamide
CID 3414721
N-(2-chloro-5-methylphenyl)-1,2,2,3,3,4,4,5,5,6,6-undecafluorocyclohexane-1-carboxamide
CID 88600155

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-chloro-5-methylphenyl)acetamide?
The IUPAC name of 2-bromo-N-(2-chloro-5-methylphenyl)acetamide (CID 82111012) is 2-bromo-N-(2-chloro-5-methylphenyl)acetamide.
What is the SMILES notation for 2-bromo-N-(2-chloro-5-methylphenyl)acetamide?
The canonical SMILES for 2-bromo-N-(2-chloro-5-methylphenyl)acetamide is Cc1ccc(Cl)c(NC(=O)CBr)c1.
What is the InChIKey of 2-bromo-N-(2-chloro-5-methylphenyl)acetamide?
The InChIKey is OPDHWLPCQNMNEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO/c1-6-2-3-7(11)8(4-6)12-9(13)5-10/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of 2-bromo-N-(2-chloro-5-methylphenyl)acetamide?
2-bromo-N-(2-chloro-5-methylphenyl)acetamide has a molecular weight of 262.53 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-chloro-5-methylphenyl)acetamide is sourced from PubChem (CID 82111012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).