4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline

C14H12Cl2INO — CID 107632263

IUPAC4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
SMILESCOc1ccc(CNc2ccc(Cl)cc2I)cc1Cl
InChIInChI=1S/C14H12Cl2INO/c1-19-14-5-2-9(6-11(14)16)8-18-13-4-3-10(15)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyKNUPARXJIUZSPT-UHFFFAOYSA-N
MW408.07 g/mol
LogP5.22
Rot. Bonds4

About 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline

4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline (PubChem CID 107632263) has the molecular formula C14H12Cl2INO and a molecular weight of 408.07 g/mol. Its IUPAC name is 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline.

Molecular Properties

Compound Name4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
PubChem CID107632263
Molecular FormulaC14H12Cl2INO
Molecular Weight408.07 g/mol
Exact Mass406.93
IUPAC Name4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
SMILESCOc1ccc(CNc2ccc(Cl)cc2I)cc1Cl
InChIInChI=1S/C14H12Cl2INO/c1-19-14-5-2-9(6-11(14)16)8-18-13-4-3-10(15)7-12(13)17/h2-7,18H,8H2,1H3
InChIKeyKNUPARXJIUZSPT-UHFFFAOYSA-N
XLogP5.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.07
LogP ≤ 55.22
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

5-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-methoxyaniline
CID 65022123
N-[(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 65022563
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-iodoaniline
CID 107632429
2-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 107631106
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-iodoaniline
CID 43733612
5-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-2,4-difluoroaniline
CID 102852974
N-benzyl-4-chloro-2-iodoaniline
CID 71507320
N-[(3-bromo-4-chlorophenyl)methyl]-5-chloro-2-methoxyaniline
CID 83235721
N-[(3-chloro-4-fluorophenyl)methyl]-1-(3-chloro-4-methoxyphenyl)methanamine
CID 65021339
2-bromo-N-[(3-chloro-4-methoxyphenyl)methyl]-5-methylaniline
CID 82762114
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-3-methoxyaniline
CID 107265945
N-[(3-chloro-4-methoxyphenyl)methyl]-3,5-dimethoxyaniline
CID 65022418

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline?
The IUPAC name of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline (CID 107632263) is 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline.
What is the SMILES notation for 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline?
The canonical SMILES for 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline is COc1ccc(CNc2ccc(Cl)cc2I)cc1Cl.
What is the InChIKey of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline?
The InChIKey is KNUPARXJIUZSPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO/c1-19-14-5-2-9(6-11(14)16)8-18-13-4-3-10(15)7-12(13)17/h2-7,18H,8H2,1H3.
What are the key properties of 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline?
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline has a molecular weight of 408.07 g/mol, XLogP of 5.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline is sourced from PubChem (CID 107632263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).