N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide

C16H13BrFNO2 — CID 139882137

IUPACN-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide
SMILESCc1c(NC(=O)CBr)ccc(C(=O)c2ccccc2)c1F
InChIInChI=1S/C16H13BrFNO2/c1-10-13(19-14(20)9-17)8-7-12(15(10)18)16(21)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyQXTSQCARZSZEHG-UHFFFAOYSA-N
MW350.19 g/mol
LogP3.70
Rot. Bonds4

About N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide

N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide (PubChem CID 139882137) has the molecular formula C16H13BrFNO2 and a molecular weight of 350.19 g/mol. Its IUPAC name is N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide.

Molecular Properties

Compound NameN-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide
PubChem CID139882137
Molecular FormulaC16H13BrFNO2
Molecular Weight350.19 g/mol
Exact Mass349.01
IUPAC NameN-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide
SMILESCc1c(NC(=O)CBr)ccc(C(=O)c2ccccc2)c1F
InChIInChI=1S/C16H13BrFNO2/c1-10-13(19-14(20)9-17)8-7-12(15(10)18)16(21)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20)
InChIKeyQXTSQCARZSZEHG-UHFFFAOYSA-N
XLogP3.70
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.19
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide?
The IUPAC name of N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide (CID 139882137) is N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide.
What is the SMILES notation for N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide?
The canonical SMILES for N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide is Cc1c(NC(=O)CBr)ccc(C(=O)c2ccccc2)c1F.
What is the InChIKey of N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide?
The InChIKey is QXTSQCARZSZEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrFNO2/c1-10-13(19-14(20)9-17)8-7-12(15(10)18)16(21)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,19,20).
What are the key properties of N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide?
N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide has a molecular weight of 350.19 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzoyl-3-fluoro-2-methylphenyl)-2-bromoacetamide is sourced from PubChem (CID 139882137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).