N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide

C24H17F2N3O2 — CID 53021354

IUPACN-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1
InChIInChI=1S/C24H17F2N3O2/c25-19-9-7-16(8-10-19)14-27-24(30)18-4-2-6-21(12-18)31-23-13-22(28-15-29-23)17-3-1-5-20(26)11-17/h1-13,15H,14H2,(H,27,30)
InChIKeyAKXSUNUABPQRHT-UHFFFAOYSA-N
MW417.42 g/mol
LogP5.14
Rot. Bonds6

About N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide

N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide (PubChem CID 53021354) has the molecular formula C24H17F2N3O2 and a molecular weight of 417.42 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
PubChem CID53021354
Molecular FormulaC24H17F2N3O2
Molecular Weight417.42 g/mol
Exact Mass417.13
IUPAC NameN-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide
SMILESO=C(NCc1ccc(F)cc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1
InChIInChI=1S/C24H17F2N3O2/c25-19-9-7-16(8-10-19)14-27-24(30)18-4-2-6-21(12-18)31-23-13-22(28-15-29-23)17-3-1-5-20(26)11-17/h1-13,15H,14H2,(H,27,30)
InChIKeyAKXSUNUABPQRHT-UHFFFAOYSA-N
XLogP5.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.42
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxy-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53119908
N-[(4-fluorophenyl)methyl]-3-[6-(2-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53011044
N-[(4-methylphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021388
3-[6-(3-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 53021261
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53115145
3-[6-(4-methoxyphenoxy)pyrimidin-4-yl]-N-[(3-methylphenyl)methyl]benzamide
CID 53021217
N-cycloheptyl-3-[6-(4-fluorophenyl)pyrimidin-4-yl]oxybenzamide
CID 53119894
N-[(2,5-dimethoxyphenyl)methyl]-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53011552
N-pentyl-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021376
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-[[3-(3-fluorophenyl)-1H-indazol-5-yl]methyl]-3-methoxybenzamide
CID 22260912
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368

Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide (CID 53021354) is N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide is O=C(NCc1ccc(F)cc1)c1cccc(Oc2cc(-c3cccc(F)c3)ncn2)c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
The InChIKey is AKXSUNUABPQRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17F2N3O2/c25-19-9-7-16(8-10-19)14-27-24(30)18-4-2-6-21(12-18)31-23-13-22(28-15-29-23)17-3-1-5-20(26)11-17/h1-13,15H,14H2,(H,27,30).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide?
N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide has a molecular weight of 417.42 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-[6-(3-fluorophenyl)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 53021354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).