N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

C16H14IN3O5 — CID 136882181

IUPACN-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2cc(I)ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14IN3O5/c1-10-2-5-15(13(6-10)20(23)24)25-9-16(22)19-18-8-11-7-12(17)3-4-14(11)21/h2-8,21H,9H2,1H3,(H,19,22)/b18-8-
InChIKeyNLZCBDNTLBZBJN-LSCVHKIXSA-N
MW455.21 g/mol
LogP2.74
Rot. Bonds6

About N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide

N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (PubChem CID 136882181) has the molecular formula C16H14IN3O5 and a molecular weight of 455.21 g/mol. Its IUPAC name is N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.

Molecular Properties

Compound NameN-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
PubChem CID136882181
Molecular FormulaC16H14IN3O5
Molecular Weight455.21 g/mol
Exact Mass455.00
IUPAC NameN-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
SMILESCc1ccc(OCC(=O)N/N=C\c2cc(I)ccc2O)c([N+](=O)[O-])c1
InChIInChI=1S/C16H14IN3O5/c1-10-2-5-15(13(6-10)20(23)24)25-9-16(22)19-18-8-11-7-12(17)3-4-14(11)21/h2-8,21H,9H2,1H3,(H,19,22)/b18-8-
InChIKeyNLZCBDNTLBZBJN-LSCVHKIXSA-N
XLogP2.74
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.21
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-2-nitrophenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 136802325
N-[(E)-(2-hydroxy-5-iodo-3-methylphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590024
2-(4-methyl-2-nitrophenoxy)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 1245758
N-[(E)-(3-ethoxy-2-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135590004
N-[(Z)-(3-iodo-4-methoxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 41301188
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 136863946
N-[(2-hydroxy-5-iodophenyl)methylideneamino]-2-(2-methylphenoxy)acetamide
CID 1237454
N-[(Z)-(2,3-dibromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 136689283
N-[(E)-(3-ethoxy-4-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide
CID 135589998
N-[(5-tert-butyl-2-hydroxyphenyl)methylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide
CID 1349656
N-[(E)-(2,5-dihydroxyphenyl)methylideneamino]-2-[2-nitro-4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 135588590
2-(2-ethoxyphenoxy)-N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]acetamide
CID 135884080

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The IUPAC name of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide (CID 136882181) is N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide.
What is the SMILES notation for N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The canonical SMILES for N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is Cc1ccc(OCC(=O)N/N=C\c2cc(I)ccc2O)c([N+](=O)[O-])c1.
What is the InChIKey of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
The InChIKey is NLZCBDNTLBZBJN-LSCVHKIXSA-N. The full InChI is InChI=1S/C16H14IN3O5/c1-10-2-5-15(13(6-10)20(23)24)25-9-16(22)19-18-8-11-7-12(17)3-4-14(11)21/h2-8,21H,9H2,1H3,(H,19,22)/b18-8-.
What are the key properties of N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide?
N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide has a molecular weight of 455.21 g/mol, XLogP of 2.74, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-hydroxy-5-iodophenyl)methylideneamino]-2-(4-methyl-2-nitrophenoxy)acetamide is sourced from PubChem (CID 136882181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).