N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide

C17H11FIN3O2 — CID 122303200

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1I
InChIInChI=1S/C17H11FIN3O2/c18-13-6-2-4-8-15(13)24-17-20-9-11(10-21-17)22-16(23)12-5-1-3-7-14(12)19/h1-10H,(H,22,23)
InChIKeyYLLMCCOQJKNBSH-UHFFFAOYSA-N
MW435.20 g/mol
LogP4.26
Rot. Bonds4

About N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide (PubChem CID 122303200) has the molecular formula C17H11FIN3O2 and a molecular weight of 435.20 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
PubChem CID122303200
Molecular FormulaC17H11FIN3O2
Molecular Weight435.20 g/mol
Exact Mass434.99
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide
SMILESO=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1I
InChIInChI=1S/C17H11FIN3O2/c18-13-6-2-4-8-15(13)24-17-20-9-11(10-21-17)22-16(23)12-5-1-3-7-14(12)19/h1-10H,(H,22,23)
InChIKeyYLLMCCOQJKNBSH-UHFFFAOYSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.20
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxypyridine-3-carboxamide
CID 122303080
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]pyridine-4-carboxamide
CID 91968386
1-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-phenylurea
CID 71799859
4-acetyl-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 122303112
N-(6-fluoro-3-pyridinyl)-2-iodobenzamide
CID 103789921
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122303009
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3,4-dimethoxybenzamide
CID 91968353
1-(3,5-difluorophenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122302932
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-8-methoxy-2-oxochromene-3-carboxamide
CID 122302958
(E)-N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-3-(2-fluorophenyl)prop-2-enamide
CID 122303106
1-(4-tert-butylphenyl)-3-[2-(2-fluorophenoxy)pyrimidin-5-yl]urea
CID 122303193
N-(5-fluoro-2-pyridinyl)-2-iodobenzamide
CID 62877590

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide (CID 122303200) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide is O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccc1I.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide?
The InChIKey is YLLMCCOQJKNBSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FIN3O2/c18-13-6-2-4-8-15(13)24-17-20-9-11(10-21-17)22-16(23)12-5-1-3-7-14(12)19/h1-10H,(H,22,23).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide has a molecular weight of 435.20 g/mol, XLogP of 4.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-iodobenzamide is sourced from PubChem (CID 122303200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).