N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide

C18H14FN3O2 — CID 70703225

IUPACN-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H14FN3O2/c19-15-6-2-13(3-7-15)12-22-17(23)14-4-8-16(9-5-14)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyPJDNCQNXYWKVEB-UHFFFAOYSA-N
MW323.33 g/mol
LogP3.34
Rot. Bonds5

About N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide

N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide (PubChem CID 70703225) has the molecular formula C18H14FN3O2 and a molecular weight of 323.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
PubChem CID70703225
Molecular FormulaC18H14FN3O2
Molecular Weight323.33 g/mol
Exact Mass323.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1
InChIInChI=1S/C18H14FN3O2/c19-15-6-2-13(3-7-15)12-22-17(23)14-4-8-16(9-5-14)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23)
InChIKeyPJDNCQNXYWKVEB-UHFFFAOYSA-N
XLogP3.34
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.33
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
2-chloro-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyridine-3-carboxamide
CID 26999108
4-pyrimidin-2-yloxy-N-[[2-(trifluoromethoxy)phenyl]methyl]benzamide
CID 24743255
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-benzyl-4-[4-(benzylcarbamoyl)phenoxy]benzamide
CID 2223099
N-[(4-chlorophenyl)methyl]-4-(4-methylpyrimidin-2-yl)oxybenzamide
CID 56724091
N-[(4-fluorophenyl)methyl]quinoline-6-carboxamide
CID 59192191
4-[2-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119825
N-[[4-(4-fluorophenoxy)phenyl]methyl]-4-(1,2,4-triazol-1-yl)benzamide
CID 24535888
N-[(4-chlorophenyl)methyl]-4-fluorobenzamide
CID 2597668
4-N-[(4-chlorophenyl)methyl]-1-N-[(4-fluorophenyl)methyl]benzene-1,4-dicarboxamide
CID 109047229

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide (CID 70703225) is N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide is O=C(NCc1ccc(F)cc1)c1ccc(Oc2ncccn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide?
The InChIKey is PJDNCQNXYWKVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN3O2/c19-15-6-2-13(3-7-15)12-22-17(23)14-4-8-16(9-5-14)24-18-20-10-1-11-21-18/h1-11H,12H2,(H,22,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide?
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide has a molecular weight of 323.33 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide is sourced from PubChem (CID 70703225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).