4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline

C11H8Cl2INS — CID 107632198

IUPAC4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline
SMILESClc1ccc(NCc2ccc(Cl)s2)c(I)c1
InChIInChI=1S/C11H8Cl2INS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyLQGDNWFDMFMOJU-UHFFFAOYSA-N
MW384.07 g/mol
LogP5.27
Rot. Bonds3

About 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline

4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline (PubChem CID 107632198) has the molecular formula C11H8Cl2INS and a molecular weight of 384.07 g/mol. Its IUPAC name is 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline
PubChem CID107632198
Molecular FormulaC11H8Cl2INS
Molecular Weight384.07 g/mol
Exact Mass382.88
IUPAC Name4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline
SMILESClc1ccc(NCc2ccc(Cl)s2)c(I)c1
InChIInChI=1S/C11H8Cl2INS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2
InChIKeyLQGDNWFDMFMOJU-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.07
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-N-[(4,5-dibromothiophen-2-yl)methyl]-2-iodoaniline
CID 107632436
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
N-[(5-chlorothiophen-2-yl)methyl]-2,4-di(propan-2-yl)aniline
CID 43693536
3-chloro-N-[(5-chlorothiophen-2-yl)methyl]-4-fluoroaniline
CID 28878881
2-[(4-chloro-2-iodoanilino)methyl]thiophen-3-amine
CID 107632516
1-N-[(5-chlorothiophen-2-yl)methyl]-4-N,4-N,2-trimethylbenzene-1,4-diamine
CID 43676884
N-[(2-bromophenyl)methyl]-4-chloro-2-iodoaniline
CID 107631624
4-chloro-N-[(3-chloro-5-fluorophenyl)methyl]-2-iodoaniline
CID 107632533
methyl 2-[(5-chlorothiophen-2-yl)methylamino]-5-methylbenzoate
CID 43679139
methyl 4-[(5-chlorothiophen-2-yl)methylamino]-3-methylbenzoate
CID 43730493
N-[(4-bromo-5-chlorothiophen-2-yl)methyl]-4-fluoro-2-iodoaniline
CID 102836448
4-chloro-N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-iodoaniline
CID 107631477

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline?
The IUPAC name of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline (CID 107632198) is 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline?
The canonical SMILES for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline is Clc1ccc(NCc2ccc(Cl)s2)c(I)c1.
What is the InChIKey of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline?
The InChIKey is LQGDNWFDMFMOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2INS/c12-7-1-3-10(9(14)5-7)15-6-8-2-4-11(13)16-8/h1-5,15H,6H2.
What are the key properties of 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline?
4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline has a molecular weight of 384.07 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(5-chlorothiophen-2-yl)methyl]-2-iodoaniline is sourced from PubChem (CID 107632198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).