N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide

C22H21IN2O2 — CID 126027142

IUPACN-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide
SMILESCCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(I)c1
InChIInChI=1S/C22H21IN2O2/c1-2-3-13-27-21-12-11-16-7-4-5-10-19(16)20(21)15-24-25-22(26)17-8-6-9-18(23)14-17/h4-12,14-15H,2-3,13H2,1H3,(H,25,26)/b24-15-
InChIKeyQNPDLPTXWJECCP-IWIPYMOSSA-N
MW472.33 g/mol
LogP5.39
Rot. Bonds7

About N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide

N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide (PubChem CID 126027142) has the molecular formula C22H21IN2O2 and a molecular weight of 472.33 g/mol. Its IUPAC name is N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide
PubChem CID126027142
Molecular FormulaC22H21IN2O2
Molecular Weight472.33 g/mol
Exact Mass472.06
IUPAC NameN-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide
SMILESCCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(I)c1
InChIInChI=1S/C22H21IN2O2/c1-2-3-13-27-21-12-11-16-7-4-5-10-19(16)20(21)15-24-25-22(26)17-8-6-9-18(23)14-17/h4-12,14-15H,2-3,13H2,1H3,(H,25,26)/b24-15-
InChIKeyQNPDLPTXWJECCP-IWIPYMOSSA-N
XLogP5.39
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.33
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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'}

Analyze N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-3-methoxybenzamide
CID 110505987
N-[(E)-(2-ethoxynaphthalen-1-yl)methylideneamino]-4-propoxybenzamide
CID 133169592
N-[(Z)-anthracen-9-ylmethylideneamino]-3,4,5-tridodecoxybenzamide
CID 122366564
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(3-methoxyphenyl)propanediamide
CID 3968962
N-[1-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]-3,4-dichlorobenzamide
CID 3983131
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(4-fluorophenyl)propanediamide
CID 5151939
2-chloro-N-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]benzamide
CID 9016239
N'-[(2-butoxynaphthalen-1-yl)methylideneamino]-N-(2-chlorophenyl)butanediamide
CID 3990640
N-[3-[2-[(2-butoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-oxopropyl]-2-fluorobenzamide
CID 4588137
[1-[[(3-methylbenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 4-ethoxybenzoate
CID 3702241
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5332284
N'-[(Z)-(2-propoxynaphthalen-1-yl)methylideneamino]oxamide
CID 9120788

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide (CID 126027142) is N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide is CCCCOc1ccc2ccccc2c1/C=N\NC(=O)c1cccc(I)c1.
What is the InChIKey of N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide?
The InChIKey is QNPDLPTXWJECCP-IWIPYMOSSA-N. The full InChI is InChI=1S/C22H21IN2O2/c1-2-3-13-27-21-12-11-16-7-4-5-10-19(16)20(21)15-24-25-22(26)17-8-6-9-18(23)14-17/h4-12,14-15H,2-3,13H2,1H3,(H,25,26)/b24-15-.
What are the key properties of N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide?
N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide has a molecular weight of 472.33 g/mol, XLogP of 5.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(2-butoxynaphthalen-1-yl)methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 126027142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).