N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline

C17H14ClNS — CID 43724527

IUPACN-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline
SMILESClc1cccc(CNc2ccccc2-c2cccs2)c1
InChIInChI=1S/C17H14ClNS/c18-14-6-3-5-13(11-14)12-19-16-8-2-1-7-15(16)17-9-4-10-20-17/h1-11,19H,12H2
InChIKeyJGUDQRMMTNWPAK-UHFFFAOYSA-N
MW299.83 g/mol
LogP5.68
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline

N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline (PubChem CID 43724527) has the molecular formula C17H14ClNS and a molecular weight of 299.83 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline
PubChem CID43724527
Molecular FormulaC17H14ClNS
Molecular Weight299.83 g/mol
Exact Mass299.05
IUPAC NameN-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline
SMILESClc1cccc(CNc2ccccc2-c2cccs2)c1
InChIInChI=1S/C17H14ClNS/c18-14-6-3-5-13(11-14)12-19-16-8-2-1-7-15(16)17-9-4-10-20-17/h1-11,19H,12H2
InChIKeyJGUDQRMMTNWPAK-UHFFFAOYSA-N
XLogP5.68
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500299.83
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline (CID 43724527) is N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline is Clc1cccc(CNc2ccccc2-c2cccs2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline?
The InChIKey is JGUDQRMMTNWPAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNS/c18-14-6-3-5-13(11-14)12-19-16-8-2-1-7-15(16)17-9-4-10-20-17/h1-11,19H,12H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline?
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline has a molecular weight of 299.83 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylaniline is sourced from PubChem (CID 43724527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).