N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide

C25H20FN3O3 — CID 53116852

IUPACN-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)cc1
InChIInChI=1S/C25H20FN3O3/c1-31-22-9-11-23(12-10-22)32-25-28-15-20(16-29-25)18-3-2-4-19(13-18)24(30)27-14-17-5-7-21(26)8-6-17/h2-13,15-16H,14H2,1H3,(H,27,30)
InChIKeyIRMWGUXFXQFXTM-UHFFFAOYSA-N
MW429.45 g/mol
LogP5.01
Rot. Bonds7

About N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide

N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116852) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116852
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)cc1
InChIInChI=1S/C25H20FN3O3/c1-31-22-9-11-23(12-10-22)32-25-28-15-20(16-29-25)18-3-2-4-19(13-18)24(30)27-14-17-5-7-21(26)8-6-17/h2-13,15-16H,14H2,1H3,(H,27,30)
InChIKeyIRMWGUXFXQFXTM-UHFFFAOYSA-N
XLogP5.01
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
3-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-(2-methoxyphenyl)benzamide
CID 53116926
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689
N-[(4-fluorophenyl)methyl]-5-(4-methoxyphenyl)pyridine-3-carboxamide
CID 53020814
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide (CID 53116852) is N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide is COc1ccc(Oc2ncc(-c3cccc(C(=O)NCc4ccc(F)cc4)c3)cn2)cc1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is IRMWGUXFXQFXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c1-31-22-9-11-23(12-10-22)32-25-28-15-20(16-29-25)18-3-2-4-19(13-18)24(30)27-14-17-5-7-21(26)8-6-17/h2-13,15-16H,14H2,1H3,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 429.45 g/mol, XLogP of 5.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).