N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide

C23H16BrN3O2 — CID 53116986

IUPACN-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C23H16BrN3O2/c24-19-8-5-9-20(13-19)27-22(28)17-7-4-6-16(12-17)18-14-25-23(26-15-18)29-21-10-2-1-3-11-21/h1-15H,(H,27,28)
InChIKeyDGFHTXYHBDVLAY-UHFFFAOYSA-N
MW446.30 g/mol
LogP5.95
Rot. Bonds5

About N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide

N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide (PubChem CID 53116986) has the molecular formula C23H16BrN3O2 and a molecular weight of 446.30 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
PubChem CID53116986
Molecular FormulaC23H16BrN3O2
Molecular Weight446.30 g/mol
Exact Mass445.04
IUPAC NameN-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
SMILESO=C(Nc1cccc(Br)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1
InChIInChI=1S/C23H16BrN3O2/c24-19-8-5-9-20(13-19)27-22(28)17-7-4-6-16(12-17)18-14-25-23(26-15-18)29-21-10-2-1-3-11-21/h1-15H,(H,27,28)
InChIKeyDGFHTXYHBDVLAY-UHFFFAOYSA-N
XLogP5.95
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.30
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116991
N-(4-bromophenyl)-3-[2-(3-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116889
N-[(4-bromophenyl)methyl]-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116997
3-benzamido-N-(3-bromophenyl)benzamide
CID 1304486
N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302199
3-methoxy-N-(2-phenoxypyrimidin-5-yl)benzamide
CID 122302206
N-(3-bromophenyl)-3-[[5-(4-methylphenyl)pyrimidin-2-yl]amino]benzamide
CID 50826542
N-(4-phenoxyphenyl)-3-phenylbenzamide
CID 117089120
N-(3-methoxypropyl)-3-(2-phenoxypyrimidin-5-yl)benzamide
CID 53116963
3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-(2-methylphenyl)benzamide
CID 53002812
N-(3-chloro-4-methoxyphenyl)-3-[2-(4-fluorophenoxy)pyrimidin-5-yl]benzamide
CID 53116939
N-(2-phenoxypyrimidin-5-yl)naphthalene-2-carboxamide
CID 122302221

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The IUPAC name of N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide (CID 53116986) is N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide.
What is the SMILES notation for N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The canonical SMILES for N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide is O=C(Nc1cccc(Br)c1)c1cccc(-c2cnc(Oc3ccccc3)nc2)c1.
What is the InChIKey of N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
The InChIKey is DGFHTXYHBDVLAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O2/c24-19-8-5-9-20(13-19)27-22(28)17-7-4-6-16(12-17)18-14-25-23(26-15-18)29-21-10-2-1-3-11-21/h1-15H,(H,27,28).
What are the key properties of N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide?
N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide has a molecular weight of 446.30 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-(2-phenoxypyrimidin-5-yl)benzamide is sourced from PubChem (CID 53116986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).