5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline

C11H7Br2ClFNO — CID 63423425

IUPAC5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H7Br2ClFNO/c12-8-4-7(17-11(8)13)5-16-10-3-6(14)1-2-9(10)15/h1-4,16H,5H2
InChIKeyXUOULBGGZXFOAL-UHFFFAOYSA-N
MW383.44 g/mol
LogP5.21
Rot. Bonds3

About 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline

5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline (PubChem CID 63423425) has the molecular formula C11H7Br2ClFNO and a molecular weight of 383.44 g/mol. Its IUPAC name is 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
PubChem CID63423425
Molecular FormulaC11H7Br2ClFNO
Molecular Weight383.44 g/mol
Exact Mass380.86
IUPAC Name5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
SMILESFc1ccc(Cl)cc1NCc1cc(Br)c(Br)o1
InChIInChI=1S/C11H7Br2ClFNO/c12-8-4-7(17-11(8)13)5-16-10-3-6(14)1-2-9(10)15/h1-4,16H,5H2
InChIKeyXUOULBGGZXFOAL-UHFFFAOYSA-N
XLogP5.21
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.44
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-ethoxyaniline
CID 63450941
N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoro-5-methylsulfonylaniline
CID 62084829
4-chloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 62086062
3-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63421913
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
2,4,6-trichloro-N-[(4,5-dibromofuran-2-yl)methyl]aniline
CID 63425788
N-[(3-bromo-4-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381912
N-[(4,5-dibromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819033
N-[(2-bromo-5-fluorophenyl)methyl]-5-chloro-2-fluoroaniline
CID 43381942
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232
2-chloro-N-[(4,5-dibromofuran-2-yl)methyl]pyridin-3-amine
CID 62086085
N-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-fluoroaniline
CID 43393710

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline (CID 63423425) is 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline is Fc1ccc(Cl)cc1NCc1cc(Br)c(Br)o1.
What is the InChIKey of 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
The InChIKey is XUOULBGGZXFOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2ClFNO/c12-8-4-7(17-11(8)13)5-16-10-3-6(14)1-2-9(10)15/h1-4,16H,5H2.
What are the key properties of 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline?
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline has a molecular weight of 383.44 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 63423425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).