N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide

C10H11BrClNO — CID 115162022

IUPACN-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
SMILESCc1ccc(Br)cc1CNC(=O)CCl
InChIInChI=1S/C10H11BrClNO/c1-7-2-3-9(11)4-8(7)6-13-10(14)5-12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyFUSZHTSTXZLIAK-UHFFFAOYSA-N
MW276.56 g/mol
LogP2.61
Rot. Bonds3

About N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide

N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide (PubChem CID 115162022) has the molecular formula C10H11BrClNO and a molecular weight of 276.56 g/mol. Its IUPAC name is N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
PubChem CID115162022
Molecular FormulaC10H11BrClNO
Molecular Weight276.56 g/mol
Exact Mass274.97
IUPAC NameN-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide
SMILESCc1ccc(Br)cc1CNC(=O)CCl
InChIInChI=1S/C10H11BrClNO/c1-7-2-3-9(11)4-8(7)6-13-10(14)5-12/h2-4H,5-6H2,1H3,(H,13,14)
InChIKeyFUSZHTSTXZLIAK-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.56
LogP ≤ 52.61
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-[(5-bromo-2-methylphenyl)methyl]-3-oxobutanamide
CID 115176428
ethyl 3-[(5-bromo-2-methylphenyl)methylamino]-3-oxopropanoate
CID 115138564
4-amino-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115155319
2-chloro-N-[(2-methylphenyl)methyl]acetamide
CID 9291148
N-[(5-bromo-2-methylphenyl)methyl]cyclopropanecarboxamide
CID 95971045
1-(5-bromo-2-methylphenyl)-3-chloropropan-2-one
CID 130766659
4-[(5-bromo-2-methylphenyl)methylamino]-3-methyl-4-oxobutanoic acid
CID 115164597
N-[(5-bromo-2-methylphenyl)methyl]pyridine-4-carboxamide;hydrochloride
CID 110787166
N-[(4-tert-butyl-2-methylphenyl)methyl]-2-chloroacetamide
CID 115162010
2-(5-bromo-2-methylphenyl)-N-(furan-2-ylmethyl)acetamide
CID 110774439
2-(aminomethyl)-N-[(5-bromo-2-methylphenyl)methyl]butanamide
CID 115187003
N-[(3-bromophenyl)methyl]-2-chloroacetamide
CID 56923497

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide?
The IUPAC name of N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide (CID 115162022) is N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide.
What is the SMILES notation for N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide?
The canonical SMILES for N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide is Cc1ccc(Br)cc1CNC(=O)CCl.
What is the InChIKey of N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide?
The InChIKey is FUSZHTSTXZLIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrClNO/c1-7-2-3-9(11)4-8(7)6-13-10(14)5-12/h2-4H,5-6H2,1H3,(H,13,14).
What are the key properties of N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide?
N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide has a molecular weight of 276.56 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-methylphenyl)methyl]-2-chloroacetamide is sourced from PubChem (CID 115162022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).