3-iodo-N-(4-phenylmethoxyphenyl)benzamide

C20H16INO2 — CID 3409101

IUPAC3-iodo-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(I)c1
InChIInChI=1S/C20H16INO2/c21-17-8-4-7-16(13-17)20(23)22-18-9-11-19(12-10-18)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23)
InChIKeySJDWDMPPFMYKIE-UHFFFAOYSA-N
MW429.26 g/mol
LogP5.12
Rot. Bonds5

About 3-iodo-N-(4-phenylmethoxyphenyl)benzamide

3-iodo-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 3409101) has the molecular formula C20H16INO2 and a molecular weight of 429.26 g/mol. Its IUPAC name is 3-iodo-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-iodo-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID3409101
Molecular FormulaC20H16INO2
Molecular Weight429.26 g/mol
Exact Mass429.02
IUPAC Name3-iodo-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(I)c1
InChIInChI=1S/C20H16INO2/c21-17-8-4-7-16(13-17)20(23)22-18-9-11-19(12-10-18)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23)
InChIKeySJDWDMPPFMYKIE-UHFFFAOYSA-N
XLogP5.12
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.26
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[3-[(4-phenylmethoxyphenyl)carbamoyl]phenyl] acetate
CID 2995401
N-[4-(phenoxymethyl)phenyl]benzamide
CID 141092226
N-[4-(2-methylpropoxy)phenyl]-3-phenylmethoxybenzamide
CID 17148534
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
3-methyl-N-[4-[[2-oxo-2-(4-phenylmethoxyanilino)ethyl]amino]phenyl]benzamide
CID 54840284
2-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 615692
3-[(4-phenylmethoxybenzoyl)amino]benzamide
CID 78779054
N-[4-(dimethylamino)phenyl]-3-phenylmethoxybenzamide
CID 23733067
3,5-dimethoxy-4-phenylmethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 139779676
N-(4-phenylmethoxyphenyl)-1,3-benzodioxole-5-carboxamide
CID 777218
3-phenylmethoxy-N-(4-sulfamoylphenyl)benzamide
CID 1163178
4-cyano-N-(4-phenylmethoxyphenyl)benzamide
CID 40610982

Frequently Asked Questions

What is the IUPAC name of 3-iodo-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 3-iodo-N-(4-phenylmethoxyphenyl)benzamide (CID 3409101) is 3-iodo-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 3-iodo-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 3-iodo-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(I)c1.
What is the InChIKey of 3-iodo-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is SJDWDMPPFMYKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16INO2/c21-17-8-4-7-16(13-17)20(23)22-18-9-11-19(12-10-18)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23).
What are the key properties of 3-iodo-N-(4-phenylmethoxyphenyl)benzamide?
3-iodo-N-(4-phenylmethoxyphenyl)benzamide has a molecular weight of 429.26 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 3409101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).