N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide

C19H13ClINO2 — CID 100513507

IUPACN-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C19H13ClINO2/c20-14-9-10-18(24-16-7-2-1-3-8-16)17(12-14)22-19(23)13-5-4-6-15(21)11-13/h1-12H,(H,22,23)
InChIKeyPGICPFOYHWCJCK-UHFFFAOYSA-N
MW449.68 g/mol
LogP5.99
Rot. Bonds4

About N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide

N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide (PubChem CID 100513507) has the molecular formula C19H13ClINO2 and a molecular weight of 449.68 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
PubChem CID100513507
Molecular FormulaC19H13ClINO2
Molecular Weight449.68 g/mol
Exact Mass448.97
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide
SMILESO=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(I)c1
InChIInChI=1S/C19H13ClINO2/c20-14-9-10-18(24-16-7-2-1-3-8-16)17(12-14)22-19(23)13-5-4-6-15(21)11-13/h1-12H,(H,22,23)
InChIKeyPGICPFOYHWCJCK-UHFFFAOYSA-N
XLogP5.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.68
LogP ≤ 55.99
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

N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-(5-chloro-2-ethoxyphenyl)-3-iodobenzamide
CID 61061489
N-(2-bromo-5-chlorophenyl)-3-iodobenzamide
CID 81270343
N-(5-chloro-2-phenoxyphenyl)-4-prop-2-enoxybenzamide
CID 9172914
N-(5-chloro-2-phenoxyphenyl)-6-methoxypyridine-3-carboxamide
CID 30779619
N-(5-chloro-2-phenoxyphenyl)-2,5-dimethylbenzamide
CID 100657509
N-[5-chloro-2-(3-methoxyphenoxy)phenyl]-3-fluoro-4-methoxybenzamide
CID 100614872
4-chloro-N-(5-chloro-2-phenoxyphenyl)-2-nitrobenzamide
CID 24676480
[2-(5-chloro-2-phenoxyanilino)-2-oxoethyl] 3-hydroxybenzoate
CID 4802995
N-(5-chloro-2-phenoxyphenyl)-3-phenylpropanamide
CID 2212566
N'-(5-chloro-2-methoxyphenyl)-N-(2-phenoxyphenyl)oxamide
CID 108987184

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide (CID 100513507) is N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide is O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(I)c1.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide?
The InChIKey is PGICPFOYHWCJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClINO2/c20-14-9-10-18(24-16-7-2-1-3-8-16)17(12-14)22-19(23)13-5-4-6-15(21)11-13/h1-12H,(H,22,23).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide?
N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide has a molecular weight of 449.68 g/mol, XLogP of 5.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-3-iodobenzamide is sourced from PubChem (CID 100513507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).