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

C16H16IN3O3 — CID 3632618

IUPACN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C16H16IN3O3/c1-10-6-12(17)3-5-14(10)18-9-16(23)20-19-8-11-2-4-13(21)7-15(11)22/h2-8,18,21-22H,9H2,1H3,(H,20,23)
InChIKeyRUHMLJLVCDPBKO-UHFFFAOYSA-N
MW425.23 g/mol
LogP2.57
Rot. Bonds5

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

N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide (PubChem CID 3632618) has the molecular formula C16H16IN3O3 and a molecular weight of 425.23 g/mol. Its IUPAC name is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
PubChem CID3632618
Molecular FormulaC16H16IN3O3
Molecular Weight425.23 g/mol
Exact Mass425.02
IUPAC NameN-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
SMILESCc1cc(I)ccc1NCC(=O)NN=Cc1ccc(O)cc1O
InChIInChI=1S/C16H16IN3O3/c1-10-6-12(17)3-5-14(10)18-9-16(23)20-19-8-11-2-4-13(21)7-15(11)22/h2-8,18,21-22H,9H2,1H3,(H,20,23)
InChIKeyRUHMLJLVCDPBKO-UHFFFAOYSA-N
XLogP2.57
TPSA93.95 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.23
LogP ≤ 52.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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

2-(4-chloro-2-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3564637
N-[(2-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 3930729
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide
CID 6157442
2-(2,4-dimethylanilino)-N-[(Z)-(2,4-dimethylphenyl)methylideneamino]acetamide
CID 5419156
2-(3,5-dibromo-4-methylanilino)-N-[(2,4-dihydroxyphenyl)methylideneamino]acetamide
CID 3374779
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
N,N'-bis[(E)-(2,4-dihydroxyphenyl)methylideneamino]propanediamide
CID 135648812
N-(1,3-benzodioxol-5-ylmethylideneamino)-2-(4-iodo-2-methylanilino)acetamide
CID 3403757
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-methoxyanilino)acetamide
CID 767055
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-N'-[(Z)-(2,4-dihydroxyphenyl)methylideneamino]butanediamide
CID 135458919
2-(2,4-dimethylanilino)-N-[(4-hydroxyphenyl)methylideneamino]acetamide
CID 967994
N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136824224

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The IUPAC name of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide (CID 3632618) is N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide.
What is the SMILES notation for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The canonical SMILES for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide is Cc1cc(I)ccc1NCC(=O)NN=Cc1ccc(O)cc1O.
What is the InChIKey of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
The InChIKey is RUHMLJLVCDPBKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16IN3O3/c1-10-6-12(17)3-5-14(10)18-9-16(23)20-19-8-11-2-4-13(21)7-15(11)22/h2-8,18,21-22H,9H2,1H3,(H,20,23).
What are the key properties of N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide?
N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide has a molecular weight of 425.23 g/mol, XLogP of 2.57, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dihydroxyphenyl)methylideneamino]-2-(4-iodo-2-methylanilino)acetamide is sourced from PubChem (CID 3632618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).