N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide

C25H18FIN2O2 — CID 4690397

IUPACN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1I
InChIInChI=1S/C25H18FIN2O2/c26-19-12-9-17(10-13-19)16-31-24-14-11-18-5-1-2-6-20(18)22(24)15-28-29-25(30)21-7-3-4-8-23(21)27/h1-15H,16H2,(H,29,30)
InChIKeyYPQVHMSSAQMUIL-UHFFFAOYSA-N
MW524.33 g/mol
LogP5.93
Rot. Bonds6

About N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide

N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide (PubChem CID 4690397) has the molecular formula C25H18FIN2O2 and a molecular weight of 524.33 g/mol. Its IUPAC name is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide.

Molecular Properties

Compound NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
PubChem CID4690397
Molecular FormulaC25H18FIN2O2
Molecular Weight524.33 g/mol
Exact Mass524.04
IUPAC NameN-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide
SMILESO=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1I
InChIInChI=1S/C25H18FIN2O2/c26-19-12-9-17(10-13-19)16-31-24-14-11-18-5-1-2-6-20(18)22(24)15-28-29-25(30)21-7-3-4-8-23(21)27/h1-15H,16H2,(H,29,30)
InChIKeyYPQVHMSSAQMUIL-UHFFFAOYSA-N
XLogP5.93
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.33
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-chloro-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6058956
N-[2-[(2Z)-2-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylidene]hydrazinyl]-2-oxoethyl]naphthalene-1-carboxamide
CID 6021400
4-(benzenesulfonamido)-N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]benzamide
CID 6002265
2-bromo-N-[(Z)-(2-phenylmethoxynaphthalen-1-yl)methylideneamino]benzamide
CID 29147296
N-[(E)-[2-[(4-bromophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-methylbenzamide
CID 19061174
[1-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]naphthalen-2-yl] 2-chlorobenzoate
CID 6014791
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-3-nitrobenzamide
CID 5168763
N-[2-[(4-bromophenyl)carbamoyl]phenyl]-N'-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]oxamide
CID 6139460
2-phenylmethoxy-N-[(Z)-(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]benzamide
CID 19657881
N-[(Z)-[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-naphthalen-2-yloxyacetamide
CID 6111701
2-(4-ethylphenoxy)-N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]acetamide
CID 5065891
2-chloro-N-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]pyridine-3-carboxamide
CID 5125283

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide?
The IUPAC name of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide (CID 4690397) is N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide.
What is the SMILES notation for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide?
The canonical SMILES for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide is O=C(NN=Cc1c(OCc2ccc(F)cc2)ccc2ccccc12)c1ccccc1I.
What is the InChIKey of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide?
The InChIKey is YPQVHMSSAQMUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FIN2O2/c26-19-12-9-17(10-13-19)16-31-24-14-11-18-5-1-2-6-20(18)22(24)15-28-29-25(30)21-7-3-4-8-23(21)27/h1-15H,16H2,(H,29,30).
What are the key properties of N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide?
N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide has a molecular weight of 524.33 g/mol, XLogP of 5.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-iodobenzamide is sourced from PubChem (CID 4690397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).