3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

C15H13IN2O — CID 5499709

IUPAC3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H13IN2O/c1-11-4-2-5-12(8-11)10-17-18-15(19)13-6-3-7-14(16)9-13/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyDNHATZFOQDCURN-YVLHZVERSA-N
MW364.19 g/mol
LogP3.36
Rot. Bonds3

About 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide

3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 5499709) has the molecular formula C15H13IN2O and a molecular weight of 364.19 g/mol. Its IUPAC name is 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID5499709
Molecular FormulaC15H13IN2O
Molecular Weight364.19 g/mol
Exact Mass364.01
IUPAC Name3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N\NC(=O)c2cccc(I)c2)c1
InChIInChI=1S/C15H13IN2O/c1-11-4-2-5-12(8-11)10-17-18-15(19)13-6-3-7-14(16)9-13/h2-10H,1H3,(H,18,19)/b17-10-
InChIKeyDNHATZFOQDCURN-YVLHZVERSA-N
XLogP3.36
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
3-fluoro-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5412010
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
3,4-dimethoxy-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 6910508
N-[(Z)-(3-bromo-4-hydroxyphenyl)methylideneamino]-3-iodobenzamide
CID 137020316
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 136852017
N-[(E)-(4-hydroxyphenyl)methylideneamino]-3-methylbenzamide
CID 135400409
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide (CID 5499709) is 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N\NC(=O)c2cccc(I)c2)c1.
What is the InChIKey of 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is DNHATZFOQDCURN-YVLHZVERSA-N. The full InChI is InChI=1S/C15H13IN2O/c1-11-4-2-5-12(8-11)10-17-18-15(19)13-6-3-7-14(16)9-13/h2-10H,1H3,(H,18,19)/b17-10-.
What are the key properties of 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide?
3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 364.19 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 5499709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).