5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline

C11H8Br2FNO — CID 43555430

IUPAC5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1ccc(Br)o1
InChIInChI=1S/C11H8Br2FNO/c12-7-1-3-9(14)10(5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyDIEHHCQLODAFME-UHFFFAOYSA-N
MW349.00 g/mol
LogP4.56
Rot. Bonds3

About 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline

5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline (PubChem CID 43555430) has the molecular formula C11H8Br2FNO and a molecular weight of 349.00 g/mol. Its IUPAC name is 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline.

Molecular Properties

Compound Name5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
PubChem CID43555430
Molecular FormulaC11H8Br2FNO
Molecular Weight349.00 g/mol
Exact Mass346.90
IUPAC Name5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline
SMILESFc1ccc(Br)cc1NCc1ccc(Br)o1
InChIInChI=1S/C11H8Br2FNO/c12-7-1-3-9(14)10(5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyDIEHHCQLODAFME-UHFFFAOYSA-N
XLogP4.56
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.00
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-N-[(5-bromofuran-2-yl)methyl]-2,5-difluoroaniline
CID 107609488
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-fluoroaniline
CID 43716493
5-[(5-bromofuran-2-yl)methylamino]-2,4-difluorobenzoic acid
CID 43737114
4-bromo-N-[(5-bromofuran-2-yl)methyl]-2-nitroaniline
CID 43746586
N-[(5-bromofuran-2-yl)methyl]-4-chloro-2-(trifluoromethyl)aniline
CID 28534147
2-bromo-N-[(5-bromofuran-2-yl)methyl]-4,6-difluoroaniline
CID 43347655
N-[(5-bromofuran-2-yl)methyl]-2,6-difluoro-3-methylaniline
CID 82819196
2-(5-bromo-2-fluoroanilino)acetic acid
CID 43555633
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
5-chloro-N-[(4,5-dibromofuran-2-yl)methyl]-2-fluoroaniline
CID 63423425
5-chloro-2-fluoro-N-[(5-methylfuran-2-yl)methyl]aniline
CID 43438391
5-bromo-2-fluoro-N-[(1-methylpyrrol-2-yl)methyl]aniline
CID 62130636

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline?
The IUPAC name of 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline (CID 43555430) is 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline.
What is the SMILES notation for 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline?
The canonical SMILES for 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline is Fc1ccc(Br)cc1NCc1ccc(Br)o1.
What is the InChIKey of 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline?
The InChIKey is DIEHHCQLODAFME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNO/c12-7-1-3-9(14)10(5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2.
What are the key properties of 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline?
5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline has a molecular weight of 349.00 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(5-bromofuran-2-yl)methyl]-2-fluoroaniline is sourced from PubChem (CID 43555430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).