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

C11H8BrClFNS — CID 29079776

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C11H8BrClFNS/c12-11-4-2-8(16-11)6-15-10-3-1-7(14)5-9(10)13/h1-5,15H,6H2
InChIKeyZXHALDITISZKPA-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.92
Rot. Bonds3

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

N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline (PubChem CID 29079776) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline
PubChem CID29079776
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCc2ccc(Br)s2)c(Cl)c1
InChIInChI=1S/C11H8BrClFNS/c12-11-4-2-8(16-11)6-15-10-3-1-7(14)5-9(10)13/h1-5,15H,6H2
InChIKeyZXHALDITISZKPA-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]-2-chloro-4-fluoroaniline?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline (CID 29079776) is N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline is Fc1ccc(NCc2ccc(Br)s2)c(Cl)c1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
The InChIKey is ZXHALDITISZKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-11-4-2-8(16-11)6-15-10-3-1-7(14)5-9(10)13/h1-5,15H,6H2.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
N-[(5-bromothiophen-2-yl)methyl]-2-chloro-4-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]-2-chloro-4-fluoroaniline is sourced from PubChem (CID 29079776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).