4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide

C27H24FN3O3 — CID 53116782

IUPAC4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
SMILESCCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1
InChIInChI=1S/C27H24FN3O3/c1-2-15-33-24-11-3-19(4-12-24)16-29-26(32)21-7-5-20(6-8-21)22-17-30-27(31-18-22)34-25-13-9-23(28)10-14-25/h3-14,17-18H,2,15-16H2,1H3,(H,29,32)
InChIKeyIKYFSNZFMGAKHR-UHFFFAOYSA-N
MW457.51 g/mol
LogP5.79
Rot. Bonds9

About 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide

4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide (PubChem CID 53116782) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
PubChem CID53116782
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
SMILESCCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1
InChIInChI=1S/C27H24FN3O3/c1-2-15-33-24-11-3-19(4-12-24)16-29-26(32)21-7-5-20(6-8-21)22-17-30-27(31-18-22)34-25-13-9-23(28)10-14-25/h3-14,17-18H,2,15-16H2,1H3,(H,29,32)
InChIKeyIKYFSNZFMGAKHR-UHFFFAOYSA-N
XLogP5.79
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.51
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
4-propoxy-N-(pyridin-4-ylmethyl)benzamide
CID 6459003
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-(4-fluorophenoxy)-N-(pyridin-4-ylmethyl)benzamide
CID 24517908
4-[[2-(3-fluorophenyl)pyrimidin-4-yl]amino]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53078307
1-(4-fluorophenyl)-3-[(4-propoxyphenyl)methyl]urea
CID 51046163
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide
CID 95087279

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The IUPAC name of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide (CID 53116782) is 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide.
What is the SMILES notation for 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The canonical SMILES for 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide is CCCOc1ccc(CNC(=O)c2ccc(-c3cnc(Oc4ccc(F)cc4)nc3)cc2)cc1.
What is the InChIKey of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
The InChIKey is IKYFSNZFMGAKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c1-2-15-33-24-11-3-19(4-12-24)16-29-26(32)21-7-5-20(6-8-21)22-17-30-27(31-18-22)34-25-13-9-23(28)10-14-25/h3-14,17-18H,2,15-16H2,1H3,(H,29,32).
What are the key properties of 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide?
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide has a molecular weight of 457.51 g/mol, XLogP of 5.79, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide is sourced from PubChem (CID 53116782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).