N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide

C22H19IN2O2 — CID 19061040

IUPACN-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C22H19IN2O2/c1-16-6-2-4-8-20(16)22(26)25-24-14-18-7-3-5-9-21(18)27-15-17-10-12-19(23)13-11-17/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyTWKTWGXNOPNICO-ZVHZXABRSA-N
MW470.31 g/mol
LogP4.94
Rot. Bonds6

About N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide

N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide (PubChem CID 19061040) has the molecular formula C22H19IN2O2 and a molecular weight of 470.31 g/mol. Its IUPAC name is N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide.

Molecular Properties

Compound NameN-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
PubChem CID19061040
Molecular FormulaC22H19IN2O2
Molecular Weight470.31 g/mol
Exact Mass470.05
IUPAC NameN-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
SMILESCc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(I)cc1
InChIInChI=1S/C22H19IN2O2/c1-16-6-2-4-8-20(16)22(26)25-24-14-18-7-3-5-9-21(18)27-15-17-10-12-19(23)13-11-17/h2-14H,15H2,1H3,(H,25,26)/b24-14+
InChIKeyTWKTWGXNOPNICO-ZVHZXABRSA-N
XLogP4.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.31
LogP ≤ 54.94
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'}

Analyze N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide 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-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061038
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6285866
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
2-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060012
N-[(E)-[5-chloro-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061054
5-methyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 5427041
N-[[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]naphthalene-1-carboxamide
CID 86809471
2-methyl-N-[2-[[(E)-[2-[(2-nitrophenyl)methoxy]phenyl]methylideneamino]carbamoyl]phenyl]benzamide
CID 6875982
N-(4-iodophenyl)-N'-[(E)-(2-phenylmethoxyphenyl)methylideneamino]butanediamide
CID 46502393
3-chloro-4-methyl-N-[(Z)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzamide
CID 126060693
[4-bromo-2-[(Z)-[(2-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 6297254

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide?
The IUPAC name of N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide (CID 19061040) is N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide.
What is the SMILES notation for N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide?
The canonical SMILES for N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide is Cc1ccccc1C(=O)N/N=C/c1ccccc1OCc1ccc(I)cc1.
What is the InChIKey of N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide?
The InChIKey is TWKTWGXNOPNICO-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19IN2O2/c1-16-6-2-4-8-20(16)22(26)25-24-14-18-7-3-5-9-21(18)27-15-17-10-12-19(23)13-11-17/h2-14H,15H2,1H3,(H,25,26)/b24-14+.
What are the key properties of N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide?
N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide has a molecular weight of 470.31 g/mol, XLogP of 4.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide is sourced from PubChem (CID 19061040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).