N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide

C16H15I2N3O2 — CID 4030750

IUPACN-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)NN=Cc2cc(I)cc(I)c2O)c1
InChIInChI=1S/C16H15I2N3O2/c1-10-3-2-4-13(5-10)19-9-15(22)21-20-8-11-6-12(17)7-14(18)16(11)23/h2-8,19,23H,9H2,1H3,(H,21,22)
InChIKeyXKQCSDIVQXBULT-UHFFFAOYSA-N
MW535.12 g/mol
LogP3.47
Rot. Bonds5

About N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide

N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide (PubChem CID 4030750) has the molecular formula C16H15I2N3O2 and a molecular weight of 535.12 g/mol. Its IUPAC name is N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide.

Molecular Properties

Compound NameN-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
PubChem CID4030750
Molecular FormulaC16H15I2N3O2
Molecular Weight535.12 g/mol
Exact Mass534.93
IUPAC NameN-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide
SMILESCc1cccc(NCC(=O)NN=Cc2cc(I)cc(I)c2O)c1
InChIInChI=1S/C16H15I2N3O2/c1-10-3-2-4-13(5-10)19-9-15(22)21-20-8-11-6-12(17)7-14(18)16(11)23/h2-8,19,23H,9H2,1H3,(H,21,22)
InChIKeyXKQCSDIVQXBULT-UHFFFAOYSA-N
XLogP3.47
TPSA73.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500535.12
LogP ≤ 53.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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-(3-bromoanilino)-N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]acetamide
CID 136800236
N-[(Z)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methylanilino)acetamide
CID 136824224
N-[(Z)-(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylphenoxy)acetamide
CID 136748235
N-[(E)-(3-bromo-2-hydroxy-5-nitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135579191
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135644204
N-[(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 5213050
N-[(Z)-(2-hydroxy-3,5-dinitrophenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 136919359
N-[(2-hydroxy-5-phenyldiazenylphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 2833192
N-[(E)-(2-hydroxy-5-methoxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135752411
N-[(E)-(3,4-dihydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 135420053
N-[(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(2-methylanilino)acetamide
CID 4573308
N-[(4-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(3-methylanilino)acetamide
CID 3788023

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The IUPAC name of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide (CID 4030750) is N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide.
What is the SMILES notation for N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The canonical SMILES for N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide is Cc1cccc(NCC(=O)NN=Cc2cc(I)cc(I)c2O)c1.
What is the InChIKey of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide?
The InChIKey is XKQCSDIVQXBULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15I2N3O2/c1-10-3-2-4-13(5-10)19-9-15(22)21-20-8-11-6-12(17)7-14(18)16(11)23/h2-8,19,23H,9H2,1H3,(H,21,22).
What are the key properties of N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide?
N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide has a molecular weight of 535.12 g/mol, XLogP of 3.47, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-3,5-diiodophenyl)methylideneamino]-2-(3-methylanilino)acetamide is sourced from PubChem (CID 4030750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).