4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline

C15H13ClFNS — CID 79222390

IUPAC4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NCC1Cc2ccccc2S1
InChIInChI=1S/C15H13ClFNS/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9H2
InChIKeySYPVPMOWKPJNBG-UHFFFAOYSA-N
MW293.79 g/mol
LogP4.61
Rot. Bonds3

About 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline

4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline (PubChem CID 79222390) has the molecular formula C15H13ClFNS and a molecular weight of 293.79 g/mol. Its IUPAC name is 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline.

Molecular Properties

Compound Name4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
PubChem CID79222390
Molecular FormulaC15H13ClFNS
Molecular Weight293.79 g/mol
Exact Mass293.04
IUPAC Name4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline
SMILESFc1cc(Cl)ccc1NCC1Cc2ccccc2S1
InChIInChI=1S/C15H13ClFNS/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9H2
InChIKeySYPVPMOWKPJNBG-UHFFFAOYSA-N
XLogP4.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.79
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline?
The IUPAC name of 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline (CID 79222390) is 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline.
What is the SMILES notation for 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline?
The canonical SMILES for 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline is Fc1cc(Cl)ccc1NCC1Cc2ccccc2S1.
What is the InChIKey of 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline?
The InChIKey is SYPVPMOWKPJNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFNS/c16-11-5-6-14(13(17)8-11)18-9-12-7-10-3-1-2-4-15(10)19-12/h1-6,8,12,18H,7,9H2.
What are the key properties of 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline?
4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline has a molecular weight of 293.79 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-2-fluoroaniline is sourced from PubChem (CID 79222390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).