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

C14H12Cl2INO — CID 63445893

IUPAC2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(I)cc1Cl
InChIInChI=1S/C14H12Cl2INO/c1-19-14-5-2-10(15)6-9(14)8-18-13-4-3-11(17)7-12(13)16/h2-7,18H,8H2,1H3
InChIKeyCRFLDJKIUZSJJE-UHFFFAOYSA-N
MW408.07 g/mol
LogP5.22
Rot. Bonds4

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

2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline (PubChem CID 63445893) has the molecular formula C14H12Cl2INO and a molecular weight of 408.07 g/mol. Its IUPAC name is 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline.

Molecular Properties

Compound Name2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline
PubChem CID63445893
Molecular FormulaC14H12Cl2INO
Molecular Weight408.07 g/mol
Exact Mass406.93
IUPAC Name2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline
SMILESCOc1ccc(Cl)cc1CNc1ccc(I)cc1Cl
InChIInChI=1S/C14H12Cl2INO/c1-19-14-5-2-10(15)6-9(14)8-18-13-4-3-11(17)7-12(13)16/h2-7,18H,8H2,1H3
InChIKeyCRFLDJKIUZSJJE-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

2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-fluoroaniline
CID 43410815
4-bromo-2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410874
2-chloro-N-[(3,4-dimethoxyphenyl)methyl]-4-iodoaniline
CID 43733612
N-[(5-chloro-2-methoxyphenyl)methyl]-2-fluoro-5-methylaniline
CID 43410852
2,4-dichloro-6-[(2-chloro-4-iodoanilino)methyl]phenol
CID 43733779
4-chloro-2-[(5-chloro-2-methoxyphenyl)methylamino]benzonitrile
CID 61036659
N-[(5-chloro-2-methoxyphenyl)methyl]-2-(methoxymethyl)aniline
CID 61038504
1-(5-chloro-2-methoxyphenyl)-N-(methoxymethyl)methanamine
CID 115258490
4-[(5-chloro-2-methoxyphenyl)methylamino]-3-nitrophenol
CID 61036662
3-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 43410779
4-chloro-N-[(3-chloro-4-methoxyphenyl)methyl]-2-iodoaniline
CID 107632263
2-(1-chloroethyl)-N-[(5-chloro-2-methoxyphenyl)methyl]aniline
CID 65029811

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline?
The IUPAC name of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline (CID 63445893) is 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline.
What is the SMILES notation for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline?
The canonical SMILES for 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline is COc1ccc(Cl)cc1CNc1ccc(I)cc1Cl.
What is the InChIKey of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline?
The InChIKey is CRFLDJKIUZSJJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl2INO/c1-19-14-5-2-10(15)6-9(14)8-18-13-4-3-11(17)7-12(13)16/h2-7,18H,8H2,1H3.
What are the key properties of 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline?
2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-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 2-chloro-N-[(5-chloro-2-methoxyphenyl)methyl]-4-iodoaniline is sourced from PubChem (CID 63445893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).