N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide

C9H6BrF4NO — CID 55137134

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc(Br)ccc1F)C(F)(F)F
InChIInChI=1S/C9H6BrF4NO/c10-6-1-2-7(11)5(3-6)4-15-8(16)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeySJCJAIXCTCCBBA-UHFFFAOYSA-N
MW300.05 g/mol
LogP2.77
Rot. Bonds2

About N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide

N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 55137134) has the molecular formula C9H6BrF4NO and a molecular weight of 300.05 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID55137134
Molecular FormulaC9H6BrF4NO
Molecular Weight300.05 g/mol
Exact Mass298.96
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc(Br)ccc1F)C(F)(F)F
InChIInChI=1S/C9H6BrF4NO/c10-6-1-2-7(11)5(3-6)4-15-8(16)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeySJCJAIXCTCCBBA-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.05
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-[(5-bromo-2-fluorophenyl)methyl]-3,3,3-trifluoro-2-hydroxy-2-phenylpropanamide
CID 58960075
1-amino-3-[(5-bromo-2-fluorophenyl)methyl]urea
CID 115192697
N-[(5-bromo-2-fluorophenyl)methyl]-2-oxopropanamide
CID 115175686
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]propanamide
CID 61299082
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
1-[(5-bromo-2-fluorophenyl)methyl]-3-cyclopropylurea
CID 47176805
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-3,3-dimethylbutanamide
CID 76897904
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
3-[(5-bromo-2-fluorophenyl)methyl]-1-ethyl-1-methylurea
CID 78917173
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
2,2,2-trifluoro-N-[(2-fluoro-5-piperidin-4-ylphenyl)methyl]acetamide
CID 86671672

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide (CID 55137134) is N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1cc(Br)ccc1F)C(F)(F)F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is SJCJAIXCTCCBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrF4NO/c10-6-1-2-7(11)5(3-6)4-15-8(16)9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 300.05 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 55137134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).