2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide

C20H17IN2O2 — CID 46469673

IUPAC2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccccc1I
InChIInChI=1S/C20H17IN2O2/c21-18-9-5-4-8-17(18)20(24)23-13-16-10-11-22-19(12-16)25-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,24)
InChIKeyNMORYLUEVBJHPP-UHFFFAOYSA-N
MW444.27 g/mol
LogP4.20
Rot. Bonds6

About 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide

2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide (PubChem CID 46469673) has the molecular formula C20H17IN2O2 and a molecular weight of 444.27 g/mol. Its IUPAC name is 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
PubChem CID46469673
Molecular FormulaC20H17IN2O2
Molecular Weight444.27 g/mol
Exact Mass444.03
IUPAC Name2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccnc(OCc2ccccc2)c1)c1ccccc1I
InChIInChI=1S/C20H17IN2O2/c21-18-9-5-4-8-17(18)20(24)23-13-16-10-11-22-19(12-16)25-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,24)
InChIKeyNMORYLUEVBJHPP-UHFFFAOYSA-N
XLogP4.20
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The IUPAC name of 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide (CID 46469673) is 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide.
What is the SMILES notation for 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The canonical SMILES for 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide is O=C(NCc1ccnc(OCc2ccccc2)c1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
The InChIKey is NMORYLUEVBJHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17IN2O2/c21-18-9-5-4-8-17(18)20(24)23-13-16-10-11-22-19(12-16)25-14-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,24).
What are the key properties of 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide?
2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide has a molecular weight of 444.27 g/mol, XLogP of 4.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-[(2-phenylmethoxy-4-pyridinyl)methyl]benzamide is sourced from PubChem (CID 46469673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).