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

C24H18BrN3O3 — CID 53116889

IUPACN-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(Br)cc4)c3)cn2)c1
InChIInChI=1S/C24H18BrN3O3/c1-30-21-6-3-7-22(13-21)31-24-26-14-18(15-27-24)16-4-2-5-17(12-16)23(29)28-20-10-8-19(25)9-11-20/h2-15H,1H3,(H,28,29)
InChIKeyUWPFVUMCXDIAHE-UHFFFAOYSA-N
MW476.33 g/mol
LogP5.96
Rot. Bonds6

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

N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (PubChem CID 53116889) has the molecular formula C24H18BrN3O3 and a molecular weight of 476.33 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
PubChem CID53116889
Molecular FormulaC24H18BrN3O3
Molecular Weight476.33 g/mol
Exact Mass475.05
IUPAC NameN-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
SMILESCOc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(Br)cc4)c3)cn2)c1
InChIInChI=1S/C24H18BrN3O3/c1-30-21-6-3-7-22(13-21)31-24-26-14-18(15-27-24)16-4-2-5-17(12-16)23(29)28-20-10-8-19(25)9-11-20/h2-15H,1H3,(H,28,29)
InChIKeyUWPFVUMCXDIAHE-UHFFFAOYSA-N
XLogP5.96
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.33
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116870
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
N-(4-bromophenyl)-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109269383
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116991
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(4-methylphenyl)benzamide
CID 53116673
N-(4-bromophenyl)-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109245082

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The IUPAC name of N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide (CID 53116889) is N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide.
What is the SMILES notation for N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The canonical SMILES for N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is COc1cccc(Oc2ncc(-c3cccc(C(=O)Nc4ccc(Br)cc4)c3)cn2)c1.
What is the InChIKey of N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
The InChIKey is UWPFVUMCXDIAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O3/c1-30-21-6-3-7-22(13-21)31-24-26-14-18(15-27-24)16-4-2-5-17(12-16)23(29)28-20-10-8-19(25)9-11-20/h2-15H,1H3,(H,28,29).
What are the key properties of N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide?
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide has a molecular weight of 476.33 g/mol, XLogP of 5.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 53116889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).