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

C18H14FN3O3 — CID 71799783

IUPACN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C18H14FN3O3/c1-24-15-8-4-2-6-13(15)17(23)22-12-10-20-18(21-11-12)25-16-9-5-3-7-14(16)19/h2-11H,1H3,(H,22,23)
InChIKeyVDKNDXNKVDMDNP-UHFFFAOYSA-N
MW339.33 g/mol
LogP3.67
Rot. Bonds5

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

N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide (PubChem CID 71799783) has the molecular formula C18H14FN3O3 and a molecular weight of 339.33 g/mol. Its IUPAC name is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide
PubChem CID71799783
Molecular FormulaC18H14FN3O3
Molecular Weight339.33 g/mol
Exact Mass339.10
IUPAC NameN-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)Nc1cnc(Oc2ccccc2F)nc1
InChIInChI=1S/C18H14FN3O3/c1-24-15-8-4-2-6-13(15)17(23)22-12-10-20-18(21-11-12)25-16-9-5-3-7-14(16)19/h2-11H,1H3,(H,22,23)
InChIKeyVDKNDXNKVDMDNP-UHFFFAOYSA-N
XLogP3.67
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.33
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide?
The IUPAC name of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide (CID 71799783) is N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide.
What is the SMILES notation for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide?
The canonical SMILES for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide is COc1ccccc1C(=O)Nc1cnc(Oc2ccccc2F)nc1.
What is the InChIKey of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide?
The InChIKey is VDKNDXNKVDMDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O3/c1-24-15-8-4-2-6-13(15)17(23)22-12-10-20-18(21-11-12)25-16-9-5-3-7-14(16)19/h2-11H,1H3,(H,22,23).
What are the key properties of N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide?
N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide has a molecular weight of 339.33 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenoxy)pyrimidin-5-yl]-2-methoxybenzamide is sourced from PubChem (CID 71799783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).