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

C11H8BrClFNS — CID 29079639

IUPACN-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCc2cc(Br)cs2)c(Cl)c1
InChIInChI=1S/C11H8BrClFNS/c12-7-3-9(16-6-7)5-15-11-2-1-8(14)4-10(11)13/h1-4,6,15H,5H2
InChIKeyGHVMATFSZZORPH-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.92
Rot. Bonds3

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

N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline (PubChem CID 29079639) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline
PubChem CID29079639
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline
SMILESFc1ccc(NCc2cc(Br)cs2)c(Cl)c1
InChIInChI=1S/C11H8BrClFNS/c12-7-3-9(16-6-7)5-15-11-2-1-8(14)4-10(11)13/h1-4,6,15H,5H2
InChIKeyGHVMATFSZZORPH-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-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline (CID 29079639) is N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline is Fc1ccc(NCc2cc(Br)cs2)c(Cl)c1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
The InChIKey is GHVMATFSZZORPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-7-3-9(16-6-7)5-15-11-2-1-8(14)4-10(11)13/h1-4,6,15H,5H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline?
N-[(4-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-[(4-bromothiophen-2-yl)methyl]-2-chloro-4-fluoroaniline is sourced from PubChem (CID 29079639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).