N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide

C24H18BrN3O2 — CID 53116997

IUPACN-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(NCc1ccc(Br)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C24H18BrN3O2/c25-21-11-9-17(10-12-21)14-26-23(29)19-6-4-5-18(13-19)20-15-27-24(28-16-20)30-22-7-2-1-3-8-22/h1-13,15-16H,14H2,(H,26,29)
InChIKeyAKFNVOBGRGJVCX-UHFFFAOYSA-N
MW460.33 g/mol
LogP5.63
Rot. Bonds6

About N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide

N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 53116997) has the molecular formula C24H18BrN3O2 and a molecular weight of 460.33 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID53116997
Molecular FormulaC24H18BrN3O2
Molecular Weight460.33 g/mol
Exact Mass459.06
IUPAC NameN-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(NCc1ccc(Br)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C24H18BrN3O2/c25-21-11-9-17(10-12-21)14-26-23(29)19-6-4-5-18(13-19)20-15-27-24(28-16-20)30-22-7-2-1-3-8-22/h1-13,15-16H,14H2,(H,26,29)
InChIKeyAKFNVOBGRGJVCX-UHFFFAOYSA-N
XLogP5.63
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.33
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116901
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116986
N-[(4-bromophenyl)methyl]-3-[3-(hydroxycarbamoyl)phenyl]benzamide
CID 87468856
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963
N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-[(2,4-dimethoxyphenyl)methyl]-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116904
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(3-methoxyphenyl)methyl]benzamide
CID 53116698
N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116991
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
N-[(4-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 20973291

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide (CID 53116997) is N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide is O=C(NCc1ccc(Br)cc1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1.
What is the InChIKey of N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is AKFNVOBGRGJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18BrN3O2/c25-21-11-9-17(10-12-21)14-26-23(29)19-6-4-5-18(13-19)20-15-27-24(28-16-20)30-22-7-2-1-3-8-22/h1-13,15-16H,14H2,(H,26,29).
What are the key properties of N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide?
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 460.33 g/mol, XLogP of 5.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 53116997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).