N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide

C16H16IN3O3 — CID 137140814

IUPACN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide
SMILESC/C(=N/NC(=O)CNc1ccc(I)cc1)c1ccc(O)cc1O
InChIInChI=1S/C16H16IN3O3/c1-10(14-7-6-13(21)8-15(14)22)19-20-16(23)9-18-12-4-2-11(17)3-5-12/h2-8,18,21-22H,9H2,1H3,(H,20,23)/b19-10-
InChIKeyPHGVWNMJLUQHIW-GRSHGNNSSA-N
MW425.23 g/mol
LogP2.65
Rot. Bonds5

About N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide

N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide (PubChem CID 137140814) has the molecular formula C16H16IN3O3 and a molecular weight of 425.23 g/mol. Its IUPAC name is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide
PubChem CID137140814
Molecular FormulaC16H16IN3O3
Molecular Weight425.23 g/mol
Exact Mass425.02
IUPAC NameN-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide
SMILESC/C(=N/NC(=O)CNc1ccc(I)cc1)c1ccc(O)cc1O
InChIInChI=1S/C16H16IN3O3/c1-10(14-7-6-13(21)8-15(14)22)19-20-16(23)9-18-12-4-2-11(17)3-5-12/h2-8,18,21-22H,9H2,1H3,(H,20,23)/b19-10-
InChIKeyPHGVWNMJLUQHIW-GRSHGNNSSA-N
XLogP2.65
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 ≤ 52.65
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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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide?
The IUPAC name of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide (CID 137140814) is N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide.
What is the SMILES notation for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide?
The canonical SMILES for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide is C/C(=N/NC(=O)CNc1ccc(I)cc1)c1ccc(O)cc1O.
What is the InChIKey of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide?
The InChIKey is PHGVWNMJLUQHIW-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H16IN3O3/c1-10(14-7-6-13(21)8-15(14)22)19-20-16(23)9-18-12-4-2-11(17)3-5-12/h2-8,18,21-22H,9H2,1H3,(H,20,23)/b19-10-.
What are the key properties of N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide?
N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide has a molecular weight of 425.23 g/mol, XLogP of 2.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-(4-iodoanilino)acetamide is sourced from PubChem (CID 137140814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).