N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide

C15H11I2N3O5 — CID 137062726

IUPACN-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2cc(I)c(O)c([N+](=O)[O-])c2)ccc1I
InChIInChI=1S/C15H11I2N3O5/c1-25-13-6-9(2-3-10(13)16)15(22)19-18-7-8-4-11(17)14(21)12(5-8)20(23)24/h2-7,21H,1H3,(H,19,22)/b18-7-
InChIKeyHNNJOATYULDGSA-WSVATBPTSA-N
MW567.08 g/mol
LogP3.28
Rot. Bonds5

About N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide

N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide (PubChem CID 137062726) has the molecular formula C15H11I2N3O5 and a molecular weight of 567.08 g/mol. Its IUPAC name is N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
PubChem CID137062726
Molecular FormulaC15H11I2N3O5
Molecular Weight567.08 g/mol
Exact Mass566.88
IUPAC NameN-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)N/N=C\c2cc(I)c(O)c([N+](=O)[O-])c2)ccc1I
InChIInChI=1S/C15H11I2N3O5/c1-25-13-6-9(2-3-10(13)16)15(22)19-18-7-8-4-11(17)14(21)12(5-8)20(23)24/h2-7,21H,1H3,(H,19,22)/b18-7-
InChIKeyHNNJOATYULDGSA-WSVATBPTSA-N
XLogP3.28
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.08
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', '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

4-[(Z)-[(4-iodo-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 7129870
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5172323
4-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135852510
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-propoxybenzamide
CID 137268508
3-hydroxy-N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]benzamide
CID 135673815
N-[(Z)-(4-hydroxy-3,5-diiodophenyl)methylideneamino]-4-nitrobenzamide
CID 136832455
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
N-[(Z)-(3,4-dimethoxy-5-nitrophenyl)methylideneamino]-4-methylbenzamide
CID 110509146
N-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 3295001
N-[(E)-(4-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818915
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The IUPAC name of N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide (CID 137062726) is N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide is COc1cc(C(=O)N/N=C\c2cc(I)c(O)c([N+](=O)[O-])c2)ccc1I.
What is the InChIKey of N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The InChIKey is HNNJOATYULDGSA-WSVATBPTSA-N. The full InChI is InChI=1S/C15H11I2N3O5/c1-25-13-6-9(2-3-10(13)16)15(22)19-18-7-8-4-11(17)14(21)12(5-8)20(23)24/h2-7,21H,1H3,(H,19,22)/b18-7-.
What are the key properties of N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide has a molecular weight of 567.08 g/mol, XLogP of 3.28, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 137062726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).