N-(4-bromophenyl)-2-fluoro-N-methylacetamide

C9H9BrFNO — CID 25218

IUPACN-(4-bromophenyl)-2-fluoro-N-methylacetamide
SMILESCN(C(=O)CF)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrFNO/c1-12(9(13)6-11)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKeyFATGIAYGVSQXJB-UHFFFAOYSA-N
MW246.08 g/mol
LogP2.38
Rot. Bonds2

About N-(4-bromophenyl)-2-fluoro-N-methylacetamide

N-(4-bromophenyl)-2-fluoro-N-methylacetamide (PubChem CID 25218) has the molecular formula C9H9BrFNO and a molecular weight of 246.08 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-fluoro-N-methylacetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-fluoro-N-methylacetamide
PubChem CID25218
Molecular FormulaC9H9BrFNO
Molecular Weight246.08 g/mol
Exact Mass244.99
IUPAC NameN-(4-bromophenyl)-2-fluoro-N-methylacetamide
SMILESCN(C(=O)CF)c1ccc(Br)cc1
InChIInChI=1S/C9H9BrFNO/c1-12(9(13)6-11)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3
InChIKeyFATGIAYGVSQXJB-UHFFFAOYSA-N
XLogP2.38
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.08
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N-(4-bromophenyl)-2-fluoro-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-fluoro-N-methylacetamide?
The IUPAC name of N-(4-bromophenyl)-2-fluoro-N-methylacetamide (CID 25218) is N-(4-bromophenyl)-2-fluoro-N-methylacetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-fluoro-N-methylacetamide?
The canonical SMILES for N-(4-bromophenyl)-2-fluoro-N-methylacetamide is CN(C(=O)CF)c1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-fluoro-N-methylacetamide?
The InChIKey is FATGIAYGVSQXJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO/c1-12(9(13)6-11)8-4-2-7(10)3-5-8/h2-5H,6H2,1H3.
What are the key properties of N-(4-bromophenyl)-2-fluoro-N-methylacetamide?
N-(4-bromophenyl)-2-fluoro-N-methylacetamide has a molecular weight of 246.08 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-fluoro-N-methylacetamide is sourced from PubChem (CID 25218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).