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

C25H20BrN3O3 — CID 53116681

IUPACN-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(Br)cc4)cc3)cn2)cc1
InChIInChI=1S/C25H20BrN3O3/c1-31-22-10-12-23(13-11-22)32-25-28-15-20(16-29-25)18-4-6-19(7-5-18)24(30)27-14-17-2-8-21(26)9-3-17/h2-13,15-16H,14H2,1H3,(H,27,30)
InChIKeyZJVZOEGGBUNVPI-UHFFFAOYSA-N
MW490.36 g/mol
LogP5.64
Rot. Bonds7

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

N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116681) has the molecular formula C25H20BrN3O3 and a molecular weight of 490.36 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116681
Molecular FormulaC25H20BrN3O3
Molecular Weight490.36 g/mol
Exact Mass489.07
IUPAC NameN-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(Br)cc4)cc3)cn2)cc1
InChIInChI=1S/C25H20BrN3O3/c1-31-22-10-12-23(13-11-22)32-25-28-15-20(16-29-25)18-4-6-19(7-5-18)24(30)27-14-17-2-8-21(26)9-3-17/h2-13,15-16H,14H2,1H3,(H,27,30)
InChIKeyZJVZOEGGBUNVPI-UHFFFAOYSA-N
XLogP5.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.36
LogP ≤ 55.64
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-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-phenylethyl)benzamide
CID 53116686
4-[2-(4-fluorophenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116782
6-bromo-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 66462090
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
4-[[(4-bromophenyl)sulfonylamino]methyl]-N-[(4-methoxyphenyl)methyl]benzamide
CID 20854229
4-bromo-N-[(4-bromophenyl)methyl]benzamide
CID 17384434

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide (CID 53116681) is N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide is COc1ccc(Oc2ncc(-c3ccc(C(=O)NCc4ccc(Br)cc4)cc3)cn2)cc1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is ZJVZOEGGBUNVPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20BrN3O3/c1-31-22-10-12-23(13-11-22)32-25-28-15-20(16-29-25)18-4-6-19(7-5-18)24(30)27-14-17-2-8-21(26)9-3-17/h2-13,15-16H,14H2,1H3,(H,27,30).
What are the key properties of N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide?
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 490.36 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).