N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide

C16H15ClIN3O — CID 3930729

IUPACN-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H15ClIN3O/c1-11-8-13(18)6-7-15(11)19-10-16(22)21-20-9-12-4-2-3-5-14(12)17/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyIOVZHGDCYHACFG-UHFFFAOYSA-N
MW427.67 g/mol
LogP3.82
Rot. Bonds5

About N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide

N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide (PubChem CID 3930729) has the molecular formula C16H15ClIN3O and a molecular weight of 427.67 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
PubChem CID3930729
Molecular FormulaC16H15ClIN3O
Molecular Weight427.67 g/mol
Exact Mass426.99
IUPAC NameN-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)NN=Cc1ccccc1Cl
InChIInChI=1S/C16H15ClIN3O/c1-11-8-13(18)6-7-15(11)19-10-16(22)21-20-9-12-4-2-3-5-14(12)17/h2-9,19H,10H2,1H3,(H,21,22)
InChIKeyIOVZHGDCYHACFG-UHFFFAOYSA-N
XLogP3.82
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.67
LogP ≤ 53.82
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-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
N-(2-chlorophenyl)-2-(4-iodo-2-methylanilino)acetamide
CID 2604442
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3632618
2-(2-chloroanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 968113
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
N-[(2,4-dichlorophenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 4630450
2-(2-chloro-3-fluoroanilino)-N-[(E)-(2-chlorophenyl)methylideneamino]acetamide
CID 71699766
2-(2-methylanilino)-N-[(2-methylphenyl)methylideneamino]acetamide
CID 870845
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-iodo-2-methylanilino)acetamide
CID 3403757
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
N-[(Z)-(3,5-dichloro-2-hydroxyphenyl)methylideneamino]-2-(2,4-dimethylanilino)acetamide
CID 136742656
2-(2,4-dimethylanilino)-N-[(Z)-(2-ethoxyphenyl)methylideneamino]acetamide
CID 5427807

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The IUPAC name of N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide (CID 3930729) is N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide is Cc1cc(I)ccc1NCC(=O)NN=Cc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The InChIKey is IOVZHGDCYHACFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClIN3O/c1-11-8-13(18)6-7-15(11)19-10-16(22)21-20-9-12-4-2-3-5-14(12)17/h2-9,19H,10H2,1H3,(H,21,22).
What are the key properties of N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide has a molecular weight of 427.67 g/mol, XLogP of 3.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide is sourced from PubChem (CID 3930729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).