N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide

C21H16ClIN2O2 — CID 94847954

IUPACN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1cccc(I)c1
InChIInChI=1S/C21H16ClIN2O2/c22-20-7-2-1-4-17(20)14-27-19-10-8-15(9-11-19)13-24-25-21(26)16-5-3-6-18(23)12-16/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyQHTWWFVQLVAACR-CFRMEGHHSA-N
MW490.73 g/mol
LogP5.29
Rot. Bonds6

About N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide

N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide (PubChem CID 94847954) has the molecular formula C21H16ClIN2O2 and a molecular weight of 490.73 g/mol. Its IUPAC name is N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide.

Molecular Properties

Compound NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
PubChem CID94847954
Molecular FormulaC21H16ClIN2O2
Molecular Weight490.73 g/mol
Exact Mass489.99
IUPAC NameN-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide
SMILESO=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1cccc(I)c1
InChIInChI=1S/C21H16ClIN2O2/c22-20-7-2-1-4-17(20)14-27-19-10-8-15(9-11-19)13-24-25-21(26)16-5-3-6-18(23)12-16/h1-13H,14H2,(H,25,26)/b24-13-
InChIKeyQHTWWFVQLVAACR-CFRMEGHHSA-N
XLogP5.29
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.73
LogP ≤ 55.29
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

3-bromo-N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 41168201
N-[[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-(trifluoromethyl)benzamide
CID 4311594
4-bromo-N-[(E)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 91972519
N-[(E)-(4-ethoxyphenyl)methylideneamino]-3-iodobenzamide
CID 5332284
3-bromo-N-[(Z)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 94847989
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-hydroxy-4-methoxybenzamide
CID 126397265
3-acetamido-N-[[3-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]benzamide
CID 3569074
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-2-phenoxyacetamide
CID 6293738
N-[(Z)-(2-chlorophenyl)methylideneamino]-3-iodobenzamide
CID 5435276
methyl 4-[(E)-[[3-[4-[(2-chlorophenyl)methoxy]phenyl]-1H-pyrazole-5-carbonyl]hydrazinylidene]methyl]benzoate
CID 6888543
N-[(E)-benzylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061576
N-[(E)-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-3-methoxybenzamide
CID 25252437

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide?
The IUPAC name of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide (CID 94847954) is N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide.
What is the SMILES notation for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide?
The canonical SMILES for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide is O=C(N/N=C\c1ccc(OCc2ccccc2Cl)cc1)c1cccc(I)c1.
What is the InChIKey of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide?
The InChIKey is QHTWWFVQLVAACR-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16ClIN2O2/c22-20-7-2-1-4-17(20)14-27-19-10-8-15(9-11-19)13-24-25-21(26)16-5-3-6-18(23)12-16/h1-13H,14H2,(H,25,26)/b24-13-.
What are the key properties of N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide?
N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide has a molecular weight of 490.73 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[4-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]-3-iodobenzamide is sourced from PubChem (CID 94847954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).