N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide

C27H22INO3 — CID 134843710

IUPACN-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide
SMILESO=C(Nc1c(I)cccc1OCc1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H22INO3/c28-23-15-9-17-25(32-19-21-12-5-2-6-13-21)26(23)29-27(30)22-14-7-8-16-24(22)31-18-20-10-3-1-4-11-20/h1-17H,18-19H2,(H,29,30)
InChIKeyIHYFSNUOPLYFSR-UHFFFAOYSA-N
MW535.38 g/mol
LogP6.70
Rot. Bonds8

About N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide

N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide (PubChem CID 134843710) has the molecular formula C27H22INO3 and a molecular weight of 535.38 g/mol. Its IUPAC name is N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide.

Molecular Properties

Compound NameN-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide
PubChem CID134843710
Molecular FormulaC27H22INO3
Molecular Weight535.38 g/mol
Exact Mass535.06
IUPAC NameN-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide
SMILESO=C(Nc1c(I)cccc1OCc1ccccc1)c1ccccc1OCc1ccccc1
InChIInChI=1S/C27H22INO3/c28-23-15-9-17-25(32-19-21-12-5-2-6-13-21)26(23)29-27(30)22-14-7-8-16-24(22)31-18-20-10-3-1-4-11-20/h1-17H,18-19H2,(H,29,30)
InChIKeyIHYFSNUOPLYFSR-UHFFFAOYSA-N
XLogP6.70
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500535.38
LogP ≤ 56.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-2-phenylmethoxybenzamide
CID 4946399
N'-benzoyl-2-phenylmethoxybenzohydrazide
CID 4938014
2-phenylmethoxy-N-(2-prop-2-enoxyphenyl)benzamide
CID 17098011
N-tert-butyl-2-phenylmethoxybenzamide
CID 4946348
N-benzyl-2-[[4-[[2-(benzylcarbamoyl)phenoxy]methyl]phenyl]methoxy]benzamide
CID 101339913
N-(2-hydroxy-5-methylphenyl)-2-phenylmethoxybenzamide
CID 4946343
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
2-[(3-methylphenyl)methoxy]-N-phenylbenzamide
CID 18280998
methyl 4-[(2-phenylmethoxybenzoyl)amino]benzoate
CID 4946351
(E)-N-(2-iodophenyl)-2-(2-phenylmethoxyphenyl)but-2-enamide
CID 11990869
N-(5-chloro-2-methylphenyl)-2-phenylmethoxybenzamide
CID 4946400
2-phenylmethoxy-N-(propan-2-ylideneamino)benzamide
CID 5200532

Frequently Asked Questions

What is the IUPAC name of N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide?
The IUPAC name of N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide (CID 134843710) is N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide.
What is the SMILES notation for N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide?
The canonical SMILES for N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide is O=C(Nc1c(I)cccc1OCc1ccccc1)c1ccccc1OCc1ccccc1.
What is the InChIKey of N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide?
The InChIKey is IHYFSNUOPLYFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22INO3/c28-23-15-9-17-25(32-19-21-12-5-2-6-13-21)26(23)29-27(30)22-14-7-8-16-24(22)31-18-20-10-3-1-4-11-20/h1-17H,18-19H2,(H,29,30).
What are the key properties of N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide?
N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide has a molecular weight of 535.38 g/mol, XLogP of 6.70, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-iodo-6-phenylmethoxyphenyl)-2-phenylmethoxybenzamide is sourced from PubChem (CID 134843710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).