N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline

C12H8BrClF3NO — CID 106885189

IUPACN-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2occc2Br)c(Cl)c1
InChIInChI=1S/C12H8BrClF3NO/c13-8-3-4-19-11(8)6-18-10-2-1-7(5-9(10)14)12(15,16)17/h1-5,18H,6H2
InChIKeyGKRLCTSJDLDNAJ-UHFFFAOYSA-N
MW354.55 g/mol
LogP5.33
Rot. Bonds3

About N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline

N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline (PubChem CID 106885189) has the molecular formula C12H8BrClF3NO and a molecular weight of 354.55 g/mol. Its IUPAC name is N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline.

Molecular Properties

Compound NameN-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline
PubChem CID106885189
Molecular FormulaC12H8BrClF3NO
Molecular Weight354.55 g/mol
Exact Mass352.94
IUPAC NameN-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline
SMILESFC(F)(F)c1ccc(NCc2occc2Br)c(Cl)c1
InChIInChI=1S/C12H8BrClF3NO/c13-8-3-4-19-11(8)6-18-10-2-1-7(5-9(10)14)12(15,16)17/h1-5,18H,6H2
InChIKeyGKRLCTSJDLDNAJ-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-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(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

N-[(3-bromofuran-2-yl)methyl]-3-(trifluoromethyl)aniline
CID 106885045
N-[(3-bromo-4-methylphenyl)methyl]-2-chloro-4-(trifluoromethyl)aniline
CID 105401243
N-[(3-bromofuran-2-yl)methyl]-6-chloro-1,3-benzodioxol-5-amine
CID 113344577
[4-[[2-chloro-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 115969616
N-[(3-bromofuran-2-yl)methyl]-4-chloro-3-fluoroaniline
CID 106885213
2-chloro-N-[(2-ethylphenyl)methyl]-4-(trifluoromethyl)aniline
CID 63442300
2-bromo-N-[(3-bromofuran-2-yl)methyl]aniline
CID 103880716
2-chloro-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)aniline
CID 43714578
N'-tert-butyl-N-[2-chloro-4-(trifluoromethyl)phenyl]ethane-1,2-diamine
CID 107445058
2-chloro-N-[(4,5-dibromothiophen-2-yl)methyl]-5-(trifluoromethyl)aniline
CID 102830020
N-[3-[(3-bromofuran-2-yl)methylamino]-4-chlorophenyl]methanesulfonamide
CID 106885182
N-[(3-bromofuran-2-yl)methyl]-2,5-dimethylaniline
CID 103818073

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline?
The IUPAC name of N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline (CID 106885189) is N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline.
What is the SMILES notation for N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline?
The canonical SMILES for N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline is FC(F)(F)c1ccc(NCc2occc2Br)c(Cl)c1.
What is the InChIKey of N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline?
The InChIKey is GKRLCTSJDLDNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrClF3NO/c13-8-3-4-19-11(8)6-18-10-2-1-7(5-9(10)14)12(15,16)17/h1-5,18H,6H2.
What are the key properties of N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline?
N-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(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-[(3-bromofuran-2-yl)methyl]-2-chloro-4-(trifluoromethyl)aniline is sourced from PubChem (CID 106885189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).