N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide

C9H8BrClFNO — CID 167237399

IUPACN-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide
SMILESCc1cc(NC(=O)CCl)cc(F)c1Br
InChIInChI=1S/C9H8BrClFNO/c1-5-2-6(13-8(14)4-11)3-7(12)9(5)10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyREGFSRKZOMYKCJ-UHFFFAOYSA-N
MW280.52 g/mol
LogP3.07
Rot. Bonds2

About N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide

N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide (PubChem CID 167237399) has the molecular formula C9H8BrClFNO and a molecular weight of 280.52 g/mol. Its IUPAC name is N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide
PubChem CID167237399
Molecular FormulaC9H8BrClFNO
Molecular Weight280.52 g/mol
Exact Mass278.95
IUPAC NameN-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide
SMILESCc1cc(NC(=O)CCl)cc(F)c1Br
InChIInChI=1S/C9H8BrClFNO/c1-5-2-6(13-8(14)4-11)3-7(12)9(5)10/h2-3H,4H2,1H3,(H,13,14)
InChIKeyREGFSRKZOMYKCJ-UHFFFAOYSA-N
XLogP3.07
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.52
LogP ≤ 53.07
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-(3-bromo-4-methylphenyl)-2-chloroacetamide
CID 2110928
2-amino-N-(4-bromo-3,5-dimethylphenyl)acetamide
CID 107574130
N-(4-bromo-3,5-dimethylphenyl)-3,3-dimethylbutanamide
CID 107574880
N-(4-bromo-3,5-dimethylphenyl)-3-(propan-2-ylamino)propanamide
CID 107574235
5-bromo-N-(4-bromo-3,5-dimethylphenyl)pentanamide
CID 66818039
2-chloro-N-(2-chloro-5-fluoro-4-methylphenyl)acetamide
CID 115161861
2-(methylamino)-N-(3,4,5-trifluorophenyl)acetamide
CID 62813194
ethyl N-(4-bromo-3-chloro-5-fluorophenyl)carbamate
CID 130542983
N-[3-bromo-5-(trifluoromethyl)phenyl]-2-chloroacetamide
CID 65490995
2-chloro-N-[(3-fluoro-5-methylphenyl)carbamoyl]acetamide
CID 79049833
2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
2-chloro-N-[3-methyl-4-(trifluoromethoxy)phenyl]acetamide
CID 166430570

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide?
The IUPAC name of N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide (CID 167237399) is N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide.
What is the SMILES notation for N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide?
The canonical SMILES for N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide is Cc1cc(NC(=O)CCl)cc(F)c1Br.
What is the InChIKey of N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide?
The InChIKey is REGFSRKZOMYKCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrClFNO/c1-5-2-6(13-8(14)4-11)3-7(12)9(5)10/h2-3H,4H2,1H3,(H,13,14).
What are the key properties of N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide?
N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide has a molecular weight of 280.52 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluoro-5-methylphenyl)-2-chloroacetamide is sourced from PubChem (CID 167237399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).