4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline

C11H7Br2Cl2NS — CID 28992923

IUPAC4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cc(Br)cs1
InChIInChI=1S/C11H7Br2Cl2NS/c12-6-2-9(14)11(10(15)3-6)16-4-8-1-7(13)5-17-8/h1-3,5,16H,4H2
InChIKeyIYWBJKJFJMESGJ-UHFFFAOYSA-N
MW415.97 g/mol
LogP6.19
Rot. Bonds3

About 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline

4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline (PubChem CID 28992923) has the molecular formula C11H7Br2Cl2NS and a molecular weight of 415.97 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline.

Molecular Properties

Compound Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
PubChem CID28992923
Molecular FormulaC11H7Br2Cl2NS
Molecular Weight415.97 g/mol
Exact Mass412.80
IUPAC Name4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline
SMILESClc1cc(Br)cc(Cl)c1NCc1cc(Br)cs1
InChIInChI=1S/C11H7Br2Cl2NS/c12-6-2-9(14)11(10(15)3-6)16-4-8-1-7(13)5-17-8/h1-3,5,16H,4H2
InChIKeyIYWBJKJFJMESGJ-UHFFFAOYSA-N
XLogP6.19
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.97
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trichloro-N-[(4-chlorothiophen-2-yl)methyl]aniline
CID 79420568
4-bromo-2,6-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 28993157
4-bromo-2,6-dichloro-N-[(5-ethylthiophen-2-yl)methyl]aniline
CID 28993341
1-N-[(4-bromothiophen-2-yl)methyl]-3-chlorobenzene-1,2-diamine
CID 104834597
N-[(4-bromothiophen-2-yl)methyl]-5-chloro-2-fluoroaniline
CID 43438232
4-bromo-2,6-dichloro-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61168854
5-[(2,4,6-trichloroanilino)methyl]thiophene-3-carbonitrile
CID 79614339
2-[(4-bromo-2,6-dichloroanilino)methyl]-3-chlorophenol
CID 114317923
4-bromo-N-[(4-chlorothiophen-2-yl)methyl]-2-methoxy-6-methylaniline
CID 79420515
4-bromo-2,6-dichloro-N-[[4-(trifluoromethyl)phenyl]methyl]aniline
CID 28993149
methyl 2-[5-[(4-bromo-2,6-dichloroanilino)methyl]thiophen-2-yl]acetate
CID 82886699
N-[(4-bromothiophen-2-yl)methyl]-3-chloro-4-ethoxyaniline
CID 54864090

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline?
The IUPAC name of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline (CID 28992923) is 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline.
What is the SMILES notation for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline?
The canonical SMILES for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline is Clc1cc(Br)cc(Cl)c1NCc1cc(Br)cs1.
What is the InChIKey of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline?
The InChIKey is IYWBJKJFJMESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Br2Cl2NS/c12-6-2-9(14)11(10(15)3-6)16-4-8-1-7(13)5-17-8/h1-3,5,16H,4H2.
What are the key properties of 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline?
4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline has a molecular weight of 415.97 g/mol, XLogP of 6.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromothiophen-2-yl)methyl]-2,6-dichloroaniline is sourced from PubChem (CID 28992923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).