2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide

C21H17IN2O2 — CID 6285866

IUPAC2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1)c1ccccc1I
InChIInChI=1S/C21H17IN2O2/c22-19-12-6-5-11-18(19)21(25)24-23-14-17-10-4-7-13-20(17)26-15-16-8-2-1-3-9-16/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeySXAHBBXEIYHLJY-UCQKPKSFSA-N
MW456.28 g/mol
LogP4.63
Rot. Bonds6

About 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide

2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide (PubChem CID 6285866) has the molecular formula C21H17IN2O2 and a molecular weight of 456.28 g/mol. Its IUPAC name is 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
PubChem CID6285866
Molecular FormulaC21H17IN2O2
Molecular Weight456.28 g/mol
Exact Mass456.03
IUPAC Name2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
SMILESO=C(N/N=C\c1ccccc1OCc1ccccc1)c1ccccc1I
InChIInChI=1S/C21H17IN2O2/c22-19-12-6-5-11-18(19)21(25)24-23-14-17-10-4-7-13-20(17)26-15-16-8-2-1-3-9-16/h1-14H,15H2,(H,24,25)/b23-14-
InChIKeySXAHBBXEIYHLJY-UCQKPKSFSA-N
XLogP4.63
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.28
LogP ≤ 54.63
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

N-[(E)-[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]-2-methylbenzamide
CID 19061040
3-hydroxy-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 6911496
3-methoxy-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]naphthalene-2-carboxamide
CID 6070681
2-chloro-N-[[2-[(4-iodophenyl)methoxy]phenyl]methylideneamino]pyridine-3-carboxamide
CID 4648687
N-[(Z)-(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657891
2,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4562741
N,N'-bis[(Z)-(2-phenylmethoxyphenyl)methylideneamino]heptanediamide
CID 6089663
N-[(E)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-methoxybenzamide
CID 96886048
5-methyl-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]furan-2-carboxamide
CID 5427041
3,4-dimethoxy-N-[(2-phenylmethoxyphenyl)methylideneamino]benzamide
CID 4923315
2-methyl-N-[(E)-(2-phenylmethoxyphenyl)methylideneamino]propanamide
CID 94833652
N-[(E)-(3,5-diiodo-4-methoxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 19657766

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The IUPAC name of 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide (CID 6285866) is 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide.
What is the SMILES notation for 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The canonical SMILES for 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide is O=C(N/N=C\c1ccccc1OCc1ccccc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
The InChIKey is SXAHBBXEIYHLJY-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H17IN2O2/c22-19-12-6-5-11-18(19)21(25)24-23-14-17-10-4-7-13-20(17)26-15-16-8-2-1-3-9-16/h1-14H,15H2,(H,24,25)/b23-14-.
What are the key properties of 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide?
2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide has a molecular weight of 456.28 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(Z)-(2-phenylmethoxyphenyl)methylideneamino]benzamide is sourced from PubChem (CID 6285866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).