2,5-dichloro-N-[(4-iodophenyl)methyl]aniline

C13H10Cl2IN — CID 65499551

IUPAC2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
SMILESClc1ccc(Cl)c(NCc2ccc(I)cc2)c1
InChIInChI=1S/C13H10Cl2IN/c14-10-3-6-12(15)13(7-10)17-8-9-1-4-11(16)5-2-9/h1-7,17H,8H2
InChIKeyXAXHFRKOYXMKJI-UHFFFAOYSA-N
MW378.04 g/mol
LogP5.21
Rot. Bonds3

About 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline

2,5-dichloro-N-[(4-iodophenyl)methyl]aniline (PubChem CID 65499551) has the molecular formula C13H10Cl2IN and a molecular weight of 378.04 g/mol. Its IUPAC name is 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline.

Molecular Properties

Compound Name2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
PubChem CID65499551
Molecular FormulaC13H10Cl2IN
Molecular Weight378.04 g/mol
Exact Mass376.92
IUPAC Name2,5-dichloro-N-[(4-iodophenyl)methyl]aniline
SMILESClc1ccc(Cl)c(NCc2ccc(I)cc2)c1
InChIInChI=1S/C13H10Cl2IN/c14-10-3-6-12(15)13(7-10)17-8-9-1-4-11(16)5-2-9/h1-7,17H,8H2
InChIKeyXAXHFRKOYXMKJI-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.04
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-N-[(3,4-dimethylphenyl)methyl]aniline
CID 43757200
2-bromo-4-chloro-N-[(4-iodophenyl)methyl]aniline
CID 81270333
2,5-dichloro-N-[(3,5-difluorophenyl)methyl]aniline
CID 105402904
2-chloro-N-[(3-chloro-4-methylphenyl)methyl]-5-iodoaniline
CID 114258452
N-[(4-bromo-3-chlorophenyl)methyl]-2-chloro-5-iodoaniline
CID 114258545
2,5-dichloro-N-(thiophen-3-ylmethyl)aniline
CID 29267007
3-chloro-N-[(4-iodophenyl)methyl]aniline
CID 65477156
2,5-dichloro-N-[(4-imidazol-1-ylphenyl)methyl]aniline
CID 43229402
3-[(2-chloro-5-iodoanilino)methyl]phenol
CID 114258558
2-chloro-N-[(4-chlorophenyl)methyl]-5-nitroaniline
CID 43718811
2,5-dichloro-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 28600263
4-[(5-chloro-2-fluoroanilino)methyl]phenol
CID 43438420

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline?
The IUPAC name of 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline (CID 65499551) is 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline.
What is the SMILES notation for 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline?
The canonical SMILES for 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline is Clc1ccc(Cl)c(NCc2ccc(I)cc2)c1.
What is the InChIKey of 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline?
The InChIKey is XAXHFRKOYXMKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2IN/c14-10-3-6-12(15)13(7-10)17-8-9-1-4-11(16)5-2-9/h1-7,17H,8H2.
What are the key properties of 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline?
2,5-dichloro-N-[(4-iodophenyl)methyl]aniline has a molecular weight of 378.04 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(4-iodophenyl)methyl]aniline is sourced from PubChem (CID 65499551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).