N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide

C17H15ClIN3O2 — CID 171145791

IUPACN'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1I)NN=Cc1ccccc1Cl
InChIInChI=1S/C17H15ClIN3O2/c18-13-6-2-1-5-12(13)11-20-22-17(24)10-9-16(23)21-15-8-4-3-7-14(15)19/h1-8,11H,9-10H2,(H,21,23)(H,22,24)
InChIKeyDMFFGGAEPRNBGZ-UHFFFAOYSA-N
MW455.68 g/mol
LogP3.81
Rot. Bonds6

About N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide

N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide (PubChem CID 171145791) has the molecular formula C17H15ClIN3O2 and a molecular weight of 455.68 g/mol. Its IUPAC name is N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide.

Molecular Properties

Compound NameN'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide
PubChem CID171145791
Molecular FormulaC17H15ClIN3O2
Molecular Weight455.68 g/mol
Exact Mass454.99
IUPAC NameN'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide
SMILESO=C(CCC(=O)Nc1ccccc1I)NN=Cc1ccccc1Cl
InChIInChI=1S/C17H15ClIN3O2/c18-13-6-2-1-5-12(13)11-20-22-17(24)10-9-16(23)21-15-8-4-3-7-14(15)19/h1-8,11H,9-10H2,(H,21,23)(H,22,24)
InChIKeyDMFFGGAEPRNBGZ-UHFFFAOYSA-N
XLogP3.81
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.68
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-chloro-2-methylphenyl)-N'-[(Z)-(2-chlorophenyl)methylideneamino]pentanediamide
CID 126267690
N-(2-chlorophenyl)-N'-[(4-hydroxyphenyl)methylideneamino]butanediamide
CID 3591287
N-(3-chloro-2-methylphenyl)-N'-[(Z)-(2,4-dichlorophenyl)methylideneamino]butanediamide
CID 6115400
N-[(E)-(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 6883998
N-[(2-chlorophenyl)methylideneamino]-2-cyanoacetamide
CID 709280
N'-[(Z)-(2-hydroxyphenyl)methylideneamino]-N-(2-methylphenyl)butanediamide
CID 136861998
N'-[(2-hydroxyphenyl)methylideneamino]-N-naphthalen-1-ylbutanediamide
CID 5144173
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-iodophenoxy)acetamide
CID 6287016
N'-[(2-chlorophenyl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 3288979
3-(2,3-dichlorophenyl)-N-(2-iodophenyl)propanamide
CID 38886351
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(4-fluorophenyl)acetamide
CID 7428594

Frequently Asked Questions

What is the IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide?
The IUPAC name of N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide (CID 171145791) is N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide.
What is the SMILES notation for N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide?
The canonical SMILES for N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide is O=C(CCC(=O)Nc1ccccc1I)NN=Cc1ccccc1Cl.
What is the InChIKey of N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide?
The InChIKey is DMFFGGAEPRNBGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClIN3O2/c18-13-6-2-1-5-12(13)11-20-22-17(24)10-9-16(23)21-15-8-4-3-7-14(15)19/h1-8,11H,9-10H2,(H,21,23)(H,22,24).
What are the key properties of N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide?
N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide has a molecular weight of 455.68 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2-chlorophenyl)methylideneamino]-N-(2-iodophenyl)butanediamide is sourced from PubChem (CID 171145791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).