2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline

C13H12BrF2NO — CID 62345433

IUPAC2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
SMILESCCc1ccc(CNc2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-2-9-3-4-10(18-9)7-17-13-11(14)5-8(15)6-12(13)16/h3-6,17H,2,7H2,1H3
InChIKeyLHVFSBRVYFFPPS-UHFFFAOYSA-N
MW316.15 g/mol
LogP4.49
Rot. Bonds4

About 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline

2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline (PubChem CID 62345433) has the molecular formula C13H12BrF2NO and a molecular weight of 316.15 g/mol. Its IUPAC name is 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
PubChem CID62345433
Molecular FormulaC13H12BrF2NO
Molecular Weight316.15 g/mol
Exact Mass315.01
IUPAC Name2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline
SMILESCCc1ccc(CNc2c(F)cc(F)cc2Br)o1
InChIInChI=1S/C13H12BrF2NO/c1-2-9-3-4-10(18-9)7-17-13-11(14)5-8(15)6-12(13)16/h3-6,17H,2,7H2,1H3
InChIKeyLHVFSBRVYFFPPS-UHFFFAOYSA-N
XLogP4.49
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.15
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline 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

2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
CID 43347655
2-bromo-N-ethyl-4,6-difluoroaniline
CID 43347584
2-bromo-4,6-difluoro-N-[(4-methylphenyl)methyl]aniline
CID 43168289
2-bromo-4,6-difluoro-N-propylaniline
CID 43168257
2-bromo-N-[(2,4-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43168292
2-bromo-N-[(2,5-difluorophenyl)methyl]-4,6-difluoroaniline
CID 43312818
2-bromo-4,6-difluoro-N-[(2,4,5-trimethylphenyl)methyl]aniline
CID 43775035
2-bromo-4,6-difluoro-N-pentylaniline
CID 43347538
2-bromo-N-[(4-chloro-2-fluorophenyl)methyl]-4,6-difluoroaniline
CID 114841541
N-[(5-ethylfuran-2-yl)methyl]-4-fluoro-3-methylaniline
CID 62809873
2-(2-bromo-4,6-difluoroanilino)acetonitrile
CID 43168321
4-[(2-bromo-4,6-difluoroanilino)methyl]-2,6-difluorophenol
CID 79891767

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline?
The IUPAC name of 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline (CID 62345433) is 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline is CCc1ccc(CNc2c(F)cc(F)cc2Br)o1.
What is the InChIKey of 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline?
The InChIKey is LHVFSBRVYFFPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrF2NO/c1-2-9-3-4-10(18-9)7-17-13-11(14)5-8(15)6-12(13)16/h3-6,17H,2,7H2,1H3.
What are the key properties of 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline?
2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline has a molecular weight of 316.15 g/mol, XLogP of 4.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-ethylfuran-2-yl)methyl]-4,6-difluoroaniline is sourced from PubChem (CID 62345433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).