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

C20H16INO2 — CID 615692

IUPAC2-iodo-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1I
InChIInChI=1S/C20H16INO2/c21-19-9-5-4-8-18(19)20(23)22-16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyDANYXGOWUGQHMY-UHFFFAOYSA-N
MW429.26 g/mol
LogP5.12
Rot. Bonds5

About 2-iodo-N-(4-phenylmethoxyphenyl)benzamide

2-iodo-N-(4-phenylmethoxyphenyl)benzamide (PubChem CID 615692) has the molecular formula C20H16INO2 and a molecular weight of 429.26 g/mol. Its IUPAC name is 2-iodo-N-(4-phenylmethoxyphenyl)benzamide.

Molecular Properties

Compound Name2-iodo-N-(4-phenylmethoxyphenyl)benzamide
PubChem CID615692
Molecular FormulaC20H16INO2
Molecular Weight429.26 g/mol
Exact Mass429.02
IUPAC Name2-iodo-N-(4-phenylmethoxyphenyl)benzamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1I
InChIInChI=1S/C20H16INO2/c21-19-9-5-4-8-18(19)20(23)22-16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23)
InChIKeyDANYXGOWUGQHMY-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

2-[(4-phenylmethoxyphenyl)carbamoyl]benzoate
CID 7033170
N-(4-phenylmethoxyphenyl)naphthalene-1-carboxamide
CID 1336313
2-iodo-N-(4-phenoxyphenyl)benzamide
CID 1010138
2-[4-[(2-iodobenzoyl)amino]phenoxy]acetate
CID 7324626
2-iodo-N-(4-propoxyphenyl)benzamide
CID 4942969
2,4,5-trimethyl-N-(4-phenylmethoxyphenyl)benzamide
CID 100708399
3-iodo-N-(4-phenylmethoxyphenyl)benzamide
CID 3409101
2,3-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 27650117
N-[4-[2-(ethylamino)-2-oxoethoxy]phenyl]-2-iodobenzamide
CID 32937991
2-methylsulfanyl-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 2446896
5-bromo-2-chloro-N-(4-phenylmethoxyphenyl)benzamide
CID 2953641
2-iodo-N-(4-iodophenyl)benzamide
CID 3118704

Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-(4-phenylmethoxyphenyl)benzamide?
The IUPAC name of 2-iodo-N-(4-phenylmethoxyphenyl)benzamide (CID 615692) is 2-iodo-N-(4-phenylmethoxyphenyl)benzamide.
What is the SMILES notation for 2-iodo-N-(4-phenylmethoxyphenyl)benzamide?
The canonical SMILES for 2-iodo-N-(4-phenylmethoxyphenyl)benzamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1I.
What is the InChIKey of 2-iodo-N-(4-phenylmethoxyphenyl)benzamide?
The InChIKey is DANYXGOWUGQHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16INO2/c21-19-9-5-4-8-18(19)20(23)22-16-10-12-17(13-11-16)24-14-15-6-2-1-3-7-15/h1-13H,14H2,(H,22,23).
What are the key properties of 2-iodo-N-(4-phenylmethoxyphenyl)benzamide?
2-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 2-iodo-N-(4-phenylmethoxyphenyl)benzamide is sourced from PubChem (CID 615692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).