2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

C15H13IN2O2 — CID 5379610

IUPAC2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C15H13IN2O2/c1-20-12-8-6-11(7-9-12)10-17-18-15(19)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyFZRMCUWGOPCJDN-LICLKQGHSA-N
MW380.19 g/mol
LogP3.06
Rot. Bonds4

About 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide

2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (PubChem CID 5379610) has the molecular formula C15H13IN2O2 and a molecular weight of 380.19 g/mol. Its IUPAC name is 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
PubChem CID5379610
Molecular FormulaC15H13IN2O2
Molecular Weight380.19 g/mol
Exact Mass380.00
IUPAC Name2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
SMILESCOc1ccc(/C=N/NC(=O)c2ccccc2I)cc1
InChIInChI=1S/C15H13IN2O2/c1-20-12-8-6-11(7-9-12)10-17-18-15(19)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,18,19)/b17-10+
InChIKeyFZRMCUWGOPCJDN-LICLKQGHSA-N
XLogP3.06
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.19
LogP ≤ 53.06
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 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide 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

2-methoxy-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide
CID 6861691
2-[(4-methoxybenzoyl)amino]-N-[(4-methoxyphenyl)methylideneamino]benzamide
CID 4614561
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2-bromobenzoate
CID 75087729
3-hydroxy-N-[(E)-(4-methoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6869154
[4-[[(2-iodobenzoyl)hydrazinylidene]methyl]-2-methoxyphenyl] acetate
CID 1008577
3-N,5-N-bis[(Z)-(4-methoxyphenyl)methylideneamino]-2,6-dimethylpyridine-3,5-dicarboxamide
CID 51056371
[4-[[(2-methylbenzoyl)hydrazinylidene]methyl]phenyl] 4-methoxybenzoate
CID 75087863
[4-[(Z)-[(4-methylbenzoyl)hydrazinylidene]methyl]phenyl] 2-iodobenzoate
CID 6294132
[4-[(Z)-[(2-iodobenzoyl)hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
CID 6270486
2-iodo-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzamide
CID 6898812
4-methoxy-N-[(E)-(4-phenoxyphenyl)methylideneamino]benzamide
CID 96843104
N-[(E)-(4-methoxyphenyl)methylideneamino]-4-phenoxybenzamide
CID 166606581

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide (CID 5379610) is 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is COc1ccc(/C=N/NC(=O)c2ccccc2I)cc1.
What is the InChIKey of 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
The InChIKey is FZRMCUWGOPCJDN-LICLKQGHSA-N. The full InChI is InChI=1S/C15H13IN2O2/c1-20-12-8-6-11(7-9-12)10-17-18-15(19)13-4-2-3-5-14(13)16/h2-10H,1H3,(H,18,19)/b17-10+.
What are the key properties of 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide?
2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide has a molecular weight of 380.19 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(E)-(4-methoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5379610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).