2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide

C9H8Br2ClNO — CID 2063963

IUPAC2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CCl)c(Br)c1
InChIInChI=1S/C9H8Br2ClNO/c1-5-2-6(10)9(7(11)3-5)13-8(14)4-12/h2-3H,4H2,1H3,(H,13,14)
InChIKeyMVANPTOKDQBBEW-UHFFFAOYSA-N
MW341.43 g/mol
LogP3.70
Rot. Bonds2

About 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide

2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide (PubChem CID 2063963) has the molecular formula C9H8Br2ClNO and a molecular weight of 341.43 g/mol. Its IUPAC name is 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide
PubChem CID2063963
Molecular FormulaC9H8Br2ClNO
Molecular Weight341.43 g/mol
Exact Mass338.87
IUPAC Name2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide
SMILESCc1cc(Br)c(NC(=O)CCl)c(Br)c1
InChIInChI=1S/C9H8Br2ClNO/c1-5-2-6(10)9(7(11)3-5)13-8(14)4-12/h2-3H,4H2,1H3,(H,13,14)
InChIKeyMVANPTOKDQBBEW-UHFFFAOYSA-N
XLogP3.70
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.43
LogP ≤ 53.70
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-Chloro-N-(2-methyl-4-bromophenyl)acetamide
CID 2097895
Acetamide, N-(2-bromo-4-methylphenyl)-
CID 69200
4-Acetamido-3-bromobenzotrifluoride
CID 706569
N-(2-bromo-4-methylphenyl)-2,2-dimethylpropanamide
CID 4410416
2-chloro-N-(2,4,6-tribromophenyl)acetamide
CID 3726629
N-(2-Bromo-4-methylphenyl)trifluoroacetamide
CID 798849
N-(2-Bromo-4-isopropylphenyl)acetamide
CID 258023
p-Acetotoluidide, 2',6'-dibromo-2-(diethylamino)-, hydrochloride
CID 53933
N-(2-bromo-4-methylphenyl)-2-methylpropanamide
CID 692187
N-(2-Bromo-4-methylphenyl)-2-chloroacetamide
CID 720578
N-(4-bromo-3-methylphenyl)-2-chloroacetamide
CID 2404853
2,2-dichloro-N-(2,6-dibromo-4-methylphenyl)acetamide
CID 2804966

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
The IUPAC name of 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide (CID 2063963) is 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide is Cc1cc(Br)c(NC(=O)CCl)c(Br)c1.
What is the InChIKey of 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
The InChIKey is MVANPTOKDQBBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8Br2ClNO/c1-5-2-6(10)9(7(11)3-5)13-8(14)4-12/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide?
2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide has a molecular weight of 341.43 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,6-dibromo-4-methylphenyl)acetamide is sourced from PubChem (CID 2063963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).