2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline

C11H8Br2FNS — CID 28938849

IUPAC2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C11H8Br2FNS/c12-9-5-7(14)1-3-10(9)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyFZJRPIXMBRLMLJ-UHFFFAOYSA-N
MW365.07 g/mol
LogP5.02
Rot. Bonds3

About 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline

2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline (PubChem CID 28938849) has the molecular formula C11H8Br2FNS and a molecular weight of 365.07 g/mol. Its IUPAC name is 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline
PubChem CID28938849
Molecular FormulaC11H8Br2FNS
Molecular Weight365.07 g/mol
Exact Mass362.87
IUPAC Name2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)s2)c(Br)c1
InChIInChI=1S/C11H8Br2FNS/c12-9-5-7(14)1-3-10(9)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyFZJRPIXMBRLMLJ-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.07
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-nitroaniline
CID 43742297
2-bromo-N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-4-fluoroaniline
CID 63120640
4-bromo-N-[(5-bromothiophen-2-yl)methyl]-5-fluoro-2-nitroaniline
CID 66111835
[4-[(2-bromo-4-fluoroanilino)methyl]phenyl]methanol
CID 113365750
4-[(5-bromothiophen-2-yl)methylamino]-2,3-difluorobenzoic acid
CID 79838569
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-fluoro-2-iodoaniline
CID 102836448
2-bromo-N-[(2-bromo-4-fluorophenyl)methyl]-4-iodoaniline
CID 114259117
2,4-dibromo-N-[(5-methylthiophen-2-yl)methyl]aniline
CID 43683008
N-[(5-bromothiophen-2-yl)methyl]-1-(2-chloro-4-fluorophenyl)methanamine
CID 54900023
2-[[(5-bromothiophen-2-yl)methylamino]methyl]-4-fluorophenol
CID 113356869
2-amino-N-[(5-bromothiophen-2-yl)methyl]-4-fluorobenzenesulfonamide
CID 61127561
N-[(5-bromothiophen-2-yl)methyl]-1-(3-fluorophenyl)methanamine
CID 43114066

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline?
The IUPAC name of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline (CID 28938849) is 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline.
What is the SMILES notation for 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline?
The canonical SMILES for 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline is Fc1ccc(NCc2ccc(Br)s2)c(Br)c1.
What is the InChIKey of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline?
The InChIKey is FZJRPIXMBRLMLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Br2FNS/c12-9-5-7(14)1-3-10(9)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2.
What are the key properties of 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline?
2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline has a molecular weight of 365.07 g/mol, XLogP of 5.02, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[(5-bromothiophen-2-yl)methyl]-4-fluoroaniline is sourced from PubChem (CID 28938849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).