2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline

C15H11ClINS2 — CID 43788805

IUPAC2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
SMILESClc1cc(I)ccc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C15H11ClINS2/c16-11-9-10(17)5-6-12(11)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H
InChIKeyWGRSVIZGIZNVAE-UHFFFAOYSA-N
MW431.75 g/mol
LogP6.27
Rot. Bonds4

About 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline

2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline (PubChem CID 43788805) has the molecular formula C15H11ClINS2 and a molecular weight of 431.75 g/mol. Its IUPAC name is 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
PubChem CID43788805
Molecular FormulaC15H11ClINS2
Molecular Weight431.75 g/mol
Exact Mass430.91
IUPAC Name2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline
SMILESClc1cc(I)ccc1NC(c1cccs1)c1cccs1
InChIInChI=1S/C15H11ClINS2/c16-11-9-10(17)5-6-12(11)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H
InChIKeyWGRSVIZGIZNVAE-UHFFFAOYSA-N
XLogP6.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.75
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(dithiophen-2-ylmethyl)-4-fluoroaniline
CID 43774020
2,5-dichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43757202
2,4,6-trichloro-N-(dithiophen-2-ylmethyl)aniline
CID 43773694
4-chloro-N-(dithiophen-2-ylmethyl)pyridin-3-amine
CID 83167393
2-chloro-4-iodo-N-(3-methylbutan-2-yl)aniline
CID 43733742
2-chloro-4-iodo-N-[1-(1,3-thiazol-2-yl)ethyl]aniline
CID 64993233
2-chloro-N-[cyclopropyl(phenyl)methyl]-4-iodoaniline
CID 55199390
4-chloro-2-(dithiophen-2-ylmethylamino)benzonitrile
CID 43780568
2-chloro-4-iodo-N-[1-(4-iodophenyl)ethyl]aniline
CID 43788776
N-[(2-chloro-4-iodophenyl)carbamothioyl]thiophene-2-carboxamide
CID 1347270
2-chloro-N-(dithiophen-2-ylmethyl)-6-methylaniline
CID 66253055
N-(dithiophen-2-ylmethyl)-2-methoxy-4-methylaniline
CID 60932474

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline?
The IUPAC name of 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline (CID 43788805) is 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline?
The canonical SMILES for 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline is Clc1cc(I)ccc1NC(c1cccs1)c1cccs1.
What is the InChIKey of 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline?
The InChIKey is WGRSVIZGIZNVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClINS2/c16-11-9-10(17)5-6-12(11)18-15(13-3-1-7-19-13)14-4-2-8-20-14/h1-9,15,18H.
What are the key properties of 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline?
2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline has a molecular weight of 431.75 g/mol, XLogP of 6.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(dithiophen-2-ylmethyl)-4-iodoaniline is sourced from PubChem (CID 43788805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).