N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline

C12H8BrClF3NO — CID 28543316

IUPACN-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2ccc(Br)o2)c1
InChIInChI=1S/C12H8BrClF3NO/c13-11-4-2-8(19-11)6-18-10-5-7(12(15,16)17)1-3-9(10)14/h1-5,18H,6H2
InChIKeyAUNXFEBAMGOUJE-UHFFFAOYSA-N
MW354.55 g/mol
LogP5.33
Rot. Bonds3

About N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline

N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline (PubChem CID 28543316) has the molecular formula C12H8BrClF3NO and a molecular weight of 354.55 g/mol. Its IUPAC name is N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline
PubChem CID28543316
Molecular FormulaC12H8BrClF3NO
Molecular Weight354.55 g/mol
Exact Mass352.94
IUPAC NameN-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(Cl)c(NCc2ccc(Br)o2)c1
InChIInChI=1S/C12H8BrClF3NO/c13-11-4-2-8(19-11)6-18-10-5-7(12(15,16)17)1-3-9(10)14/h1-5,18H,6H2
InChIKeyAUNXFEBAMGOUJE-UHFFFAOYSA-N
XLogP5.33
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.55
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline 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

5-[[2-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 63316809
2-[(5-bromofuran-2-yl)methylamino]-5-(trifluoromethyl)benzonitrile
CID 115911004
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
2-chloro-N-[(4,5-dibromothiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 102830020
N-[(5-chlorofuran-2-yl)methyl]-2-fluoro-5-(trifluoromethyl)aniline
CID 63036832
N-[(2-bromo-5-fluorophenyl)methyl]-2-chloro-5-(trifluoromethyl)aniline
CID 28545060
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
N-[(5-bromofuran-2-yl)methyl]-2-chloro-4-iodoaniline
CID 43733657
2-chloro-N-[(2,5-difluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 43312527
2-chloro-N-(cyclobutylmethyl)-5-(trifluoromethyl)aniline
CID 65460311
4-[[2-chloro-5-(trifluoromethyl)anilino]methyl]benzonitrile
CID 29293314
2-chloro-N-[(2-chloro-3-fluorophenyl)methyl]-5-(trifluoromethyl)aniline
CID 115982770

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
The IUPAC name of N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline (CID 28543316) is N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
The canonical SMILES for N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline is FC(F)(F)c1ccc(Cl)c(NCc2ccc(Br)o2)c1.
What is the InChIKey of N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
The InChIKey is AUNXFEBAMGOUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3NO/c13-11-4-2-8(19-11)6-18-10-5-7(12(15,16)17)1-3-9(10)14/h1-5,18H,6H2.
What are the key properties of N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline?
N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline has a molecular weight of 354.55 g/mol, XLogP of 5.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromofuran-2-yl)methyl]-2-chloro-5-(trifluoromethyl)aniline is sourced from PubChem (CID 28543316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).