N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide

C21H19IN2O3 — CID 3616632

IUPACN-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(I)c(OC)c2)c2ccccc12
InChIInChI=1S/C21H19IN2O3/c1-3-27-19-11-9-15(16-6-4-5-7-17(16)19)13-23-24-21(25)14-8-10-18(22)20(12-14)26-2/h4-13H,3H2,1-2H3,(H,24,25)
InChIKeyVTTKLQDAGCNMGF-UHFFFAOYSA-N
MW474.30 g/mol
LogP4.62
Rot. Bonds6

About N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide

N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide (PubChem CID 3616632) has the molecular formula C21H19IN2O3 and a molecular weight of 474.30 g/mol. Its IUPAC name is N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide.

Molecular Properties

Compound NameN-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide
PubChem CID3616632
Molecular FormulaC21H19IN2O3
Molecular Weight474.30 g/mol
Exact Mass474.04
IUPAC NameN-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide
SMILESCCOc1ccc(C=NNC(=O)c2ccc(I)c(OC)c2)c2ccccc12
InChIInChI=1S/C21H19IN2O3/c1-3-27-19-11-9-15(16-6-4-5-7-17(16)19)13-23-24-21(25)14-8-10-18(22)20(12-14)26-2/h4-13H,3H2,1-2H3,(H,24,25)
InChIKeyVTTKLQDAGCNMGF-UHFFFAOYSA-N
XLogP4.62
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.30
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

4-[[2-[(E)-[(4-iodo-3-methoxybenzoyl)hydrazinylidene]methyl]-6-methoxyphenoxy]methyl]benzoic acid
CID 126193213
3-chloro-N-[(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 693396
4-chloro-N-[(Z)-(4-methoxynaphthalen-1-yl)methylideneamino]benzamide
CID 5416523
N-[(2,4-dichlorophenyl)methylideneamino]-4-iodo-3-methoxybenzamide
CID 5160595
3-ethoxy-4-methoxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 126322287
N-[(Z)-(2-hydroxyphenyl)methylideneamino]-3-iodo-4-methoxybenzamide
CID 136697673
N-[(4-methoxynaphthalen-1-yl)methylideneamino]pyridine-4-carboxamide
CID 904375
N-[(4-methoxynaphthalen-1-yl)methylideneamino]-4-(pentanoylamino)benzamide
CID 4926033
3,4-dichloro-N-[1-[(2Z)-2-[(4-ethoxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 6293169
N-[(E)-(3,5-dibromo-2-ethoxyphenyl)methylideneamino]-3-ethoxy-4-methoxybenzamide
CID 126324715
3,4-diethoxy-N-[(E)-(4-hydroxy-3-iodo-5-methoxyphenyl)methylideneamino]benzamide
CID 137068545
3-ethoxy-N-[(E)-(3-iodo-5-methoxy-4-propoxyphenyl)methylideneamino]-4-methoxybenzamide
CID 126329810

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide?
The IUPAC name of N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide (CID 3616632) is N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide.
What is the SMILES notation for N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide?
The canonical SMILES for N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide is CCOc1ccc(C=NNC(=O)c2ccc(I)c(OC)c2)c2ccccc12.
What is the InChIKey of N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide?
The InChIKey is VTTKLQDAGCNMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19IN2O3/c1-3-27-19-11-9-15(16-6-4-5-7-17(16)19)13-23-24-21(25)14-8-10-18(22)20(12-14)26-2/h4-13H,3H2,1-2H3,(H,24,25).
What are the key properties of N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide?
N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide has a molecular weight of 474.30 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxynaphthalen-1-yl)methylideneamino]-4-iodo-3-methoxybenzamide is sourced from PubChem (CID 3616632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).