N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide

C10H11BrClNO — CID 58695048

IUPACN-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(CCl)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-6-3-10(13-7(2)14)9(11)4-8(6)5-12/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyYBJWNFWACLXAFL-UHFFFAOYSA-N
MW276.56 g/mol
LogP3.45
Rot. Bonds2

About N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide

N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide (PubChem CID 58695048) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide.

Molecular Properties

Compound NameN-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide
PubChem CID58695048
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide
SMILESCC(=O)Nc1cc(C)c(CCl)cc1Br
InChIInChI=1S/C10H11BrClNO/c1-6-3-10(13-7(2)14)9(11)4-8(6)5-12/h3-4H,5H2,1-2H3,(H,13,14)
InChIKeyYBJWNFWACLXAFL-UHFFFAOYSA-N
XLogP3.45
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 53.45
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

N-[2-bromo-4-(bromomethyl)-5-methylphenyl]acetamide
CID 58695056
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloro-2,2-dimethylpropanamide
CID 104723119
N-(5-amino-2,4-dibromophenyl)acetamide
CID 14144188
N-(2,3,4,5-tetramethylphenyl)acetamide
CID 54490294
N-(2-bromo-5-tert-butyl-4-chlorophenyl)acetamide
CID 151119014
1-bromo-1-[4-(chloromethyl)-3-methylphenyl]propan-2-one
CID 130840590
N-(2-bromo-5-chloro-4-methylphenyl)prop-2-ynamide
CID 104723899
3-(2-bromo-5-chloro-4-methylanilino)-3-oxopropanoic acid
CID 104725181
5-(2-bromo-4,5-dimethylanilino)-5-oxopentanoic acid
CID 82036907
N-(2,5-dibromo-4-nitrophenyl)acetamide
CID 11325213
N-(5-bromo-4-methoxy-2-methylphenyl)acetamide
CID 66766852
N-(3-bromo-2-hydroxy-5-methylphenyl)acetamide
CID 126991929

Frequently Asked Questions

What is the IUPAC name of N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide?
The IUPAC name of N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide (CID 58695048) is N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide.
What is the SMILES notation for N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide?
The canonical SMILES for N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide is CC(=O)Nc1cc(C)c(CCl)cc1Br.
What is the InChIKey of N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide?
The InChIKey is YBJWNFWACLXAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-6-3-10(13-7(2)14)9(11)4-8(6)5-12/h3-4H,5H2,1-2H3,(H,13,14).
What are the key properties of N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide?
N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide has a molecular weight of 276.56 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-bromo-4-(chloromethyl)-5-methylphenyl]acetamide is sourced from PubChem (CID 58695048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).