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

C15H12IN3O5 — CID 5172323

IUPACN-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)ccc1I
InChIInChI=1S/C15H12IN3O5/c1-24-14-7-10(3-4-11(14)16)15(21)18-17-8-9-2-5-13(20)12(6-9)19(22)23/h2-8,20H,1H3,(H,18,21)
InChIKeyFSCCQYRVIRRRQL-UHFFFAOYSA-N
MW441.18 g/mol
LogP2.68
Rot. Bonds5

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

N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide (PubChem CID 5172323) has the molecular formula C15H12IN3O5 and a molecular weight of 441.18 g/mol. Its IUPAC name is N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
PubChem CID5172323
Molecular FormulaC15H12IN3O5
Molecular Weight441.18 g/mol
Exact Mass440.98
IUPAC NameN-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCOc1cc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)ccc1I
InChIInChI=1S/C15H12IN3O5/c1-24-14-7-10(3-4-11(14)16)15(21)18-17-8-9-2-5-13(20)12(6-9)19(22)23/h2-8,20H,1H3,(H,18,21)
InChIKeyFSCCQYRVIRRRQL-UHFFFAOYSA-N
XLogP2.68
TPSA114.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.18
LogP ≤ 52.68
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

N-[(Z)-(4-hydroxy-3-iodo-5-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 137062726
4-[(Z)-[(4-iodo-3-methoxybenzoyl)hydrazinylidene]methyl]-2-methoxy-6-nitrophenolate
CID 7129870
4-ethoxy-N-[(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136700737
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-3-methoxybenzamide
CID 136712161
3,4-dimethoxy-N-[(Z)-(4-methyl-3-nitrophenyl)methylideneamino]benzamide
CID 9232133
4-hydroxy-3-methoxy-N-[(E)-(4-nitrophenyl)methylideneamino]benzamide
CID 71537756
3-iodo-N-[(Z)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 41290513
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-2,4-dimethoxybenzamide
CID 135606424
4-amino-N-[(Z)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 136789360
N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]-4-propan-2-yloxybenzamide
CID 135577282
4-fluoro-N-[(E)-(4-methoxy-3-nitrophenyl)methylideneamino]benzamide
CID 98090583
4-ethyl-N-[(E)-(4-hydroxy-3-nitrophenyl)methylideneamino]benzamide
CID 135673739

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The IUPAC name of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide (CID 5172323) is N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide is COc1cc(C(=O)NN=Cc2ccc(O)c([N+](=O)[O-])c2)ccc1I.
What is the InChIKey of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
The InChIKey is FSCCQYRVIRRRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12IN3O5/c1-24-14-7-10(3-4-11(14)16)15(21)18-17-8-9-2-5-13(20)12(6-9)19(22)23/h2-8,20H,1H3,(H,18,21).
What are the key properties of N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide?
N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide has a molecular weight of 441.18 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxy-3-nitrophenyl)methylideneamino]-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 5172323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).