N-[(3-chloro-2-iodophenyl)methylideneamino]aniline

C13H10ClIN2 — CID 169383776

IUPACN-[(3-chloro-2-iodophenyl)methylideneamino]aniline
SMILESClc1cccc(C=NNc2ccccc2)c1I
InChIInChI=1S/C13H10ClIN2/c14-12-8-4-5-10(13(12)15)9-16-17-11-6-2-1-3-7-11/h1-9,17H
InChIKeyJCFXHYBOJMZTTJ-UHFFFAOYSA-N
MW356.59 g/mol
LogP4.39
Rot. Bonds3

About N-[(3-chloro-2-iodophenyl)methylideneamino]aniline

N-[(3-chloro-2-iodophenyl)methylideneamino]aniline (PubChem CID 169383776) has the molecular formula C13H10ClIN2 and a molecular weight of 356.59 g/mol. Its IUPAC name is N-[(3-chloro-2-iodophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-[(3-chloro-2-iodophenyl)methylideneamino]aniline
PubChem CID169383776
Molecular FormulaC13H10ClIN2
Molecular Weight356.59 g/mol
Exact Mass355.96
IUPAC NameN-[(3-chloro-2-iodophenyl)methylideneamino]aniline
SMILESClc1cccc(C=NNc2ccccc2)c1I
InChIInChI=1S/C13H10ClIN2/c14-12-8-4-5-10(13(12)15)9-16-17-11-6-2-1-3-7-11/h1-9,17H
InChIKeyJCFXHYBOJMZTTJ-UHFFFAOYSA-N
XLogP4.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(2-iodo-3-nitrophenyl)methylideneamino]aniline
CID 169383782
4-[2-[(2-chlorophenyl)methylidene]hydrazinyl]phenol
CID 4174590
N-[[2-[(2,6-dichlorophenyl)methoxy]phenyl]methylideneamino]aniline
CID 169382695
N-[(4-bromo-3-fluoro-2-iodophenyl)methylideneamino]aniline
CID 169384095
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-4-methylaniline
CID 9059450
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]-3-methylaniline
CID 9060596
4-[(2Z)-2-[(2-chlorophenyl)methylidene]hydrazinyl]benzenesulfonic acid
CID 5356621
N-[[2-(4-methylphenyl)phenyl]methylideneamino]aniline
CID 169382251
[2,6-dichloro-3-[(phenylhydrazinylidene)methyl]phenyl]boronic acid
CID 169383884
N-[(E)-(3-chlorophenyl)methylideneamino]aniline
CID 12732295
N-[(2-chloro-3,5-difluorophenyl)methylideneamino]aniline
CID 169382591
N-(quinolin-8-ylmethylideneamino)aniline
CID 169381691

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-2-iodophenyl)methylideneamino]aniline?
The IUPAC name of N-[(3-chloro-2-iodophenyl)methylideneamino]aniline (CID 169383776) is N-[(3-chloro-2-iodophenyl)methylideneamino]aniline.
What is the SMILES notation for N-[(3-chloro-2-iodophenyl)methylideneamino]aniline?
The canonical SMILES for N-[(3-chloro-2-iodophenyl)methylideneamino]aniline is Clc1cccc(C=NNc2ccccc2)c1I.
What is the InChIKey of N-[(3-chloro-2-iodophenyl)methylideneamino]aniline?
The InChIKey is JCFXHYBOJMZTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClIN2/c14-12-8-4-5-10(13(12)15)9-16-17-11-6-2-1-3-7-11/h1-9,17H.
What are the key properties of N-[(3-chloro-2-iodophenyl)methylideneamino]aniline?
N-[(3-chloro-2-iodophenyl)methylideneamino]aniline has a molecular weight of 356.59 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-2-iodophenyl)methylideneamino]aniline is sourced from PubChem (CID 169383776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).