N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline

C11H8BrClFNS — CID 28968829

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1ccc(Br)s1
InChIInChI=1S/C11H8BrClFNS/c12-10-5-4-7(16-10)6-15-9-3-1-2-8(13)11(9)14/h1-5,15H,6H2
InChIKeyJRXLNIOJQSIEDR-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.92
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline

N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline (PubChem CID 28968829) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline
PubChem CID28968829
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1ccc(Br)s1
InChIInChI=1S/C11H8BrClFNS/c12-10-5-4-7(16-10)6-15-9-3-1-2-8(13)11(9)14/h1-5,15H,6H2
InChIKeyJRXLNIOJQSIEDR-UHFFFAOYSA-N
XLogP4.92
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.61
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline (CID 28968829) is N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline is Fc1c(Cl)cccc1NCc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
The InChIKey is JRXLNIOJQSIEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-10-5-4-7(16-10)6-15-9-3-1-2-8(13)11(9)14/h1-5,15H,6H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline has a molecular weight of 320.61 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline is sourced from PubChem (CID 28968829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).