N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline

C11H8BrClFNS — CID 28973035

IUPACN-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1cc(Br)cs1
InChIInChI=1S/C11H8BrClFNS/c12-7-4-8(16-6-7)5-15-10-3-1-2-9(13)11(10)14/h1-4,6,15H,5H2
InChIKeyNANOKJNHJSGIST-UHFFFAOYSA-N
MW320.61 g/mol
LogP4.92
Rot. Bonds3

About N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline

N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline (PubChem CID 28973035) has the molecular formula C11H8BrClFNS and a molecular weight of 320.61 g/mol. Its IUPAC name is N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline.

Molecular Properties

Compound NameN-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline
PubChem CID28973035
Molecular FormulaC11H8BrClFNS
Molecular Weight320.61 g/mol
Exact Mass318.92
IUPAC NameN-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline
SMILESFc1c(Cl)cccc1NCc1cc(Br)cs1
InChIInChI=1S/C11H8BrClFNS/c12-7-4-8(16-6-7)5-15-10-3-1-2-9(13)11(10)14/h1-4,6,15H,5H2
InChIKeyNANOKJNHJSGIST-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]-3-chloro-2-fluoroaniline?
The IUPAC name of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline (CID 28973035) is N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline.
What is the SMILES notation for N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
The canonical SMILES for N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline is Fc1c(Cl)cccc1NCc1cc(Br)cs1.
What is the InChIKey of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
The InChIKey is NANOKJNHJSGIST-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8BrClFNS/c12-7-4-8(16-6-7)5-15-10-3-1-2-9(13)11(10)14/h1-4,6,15H,5H2.
What are the key properties of N-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline?
N-[(4-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-[(4-bromothiophen-2-yl)methyl]-3-chloro-2-fluoroaniline is sourced from PubChem (CID 28973035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).