N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide

C23H16BrN3O2 — CID 46386484

IUPACN-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C23H16BrN3O2/c24-18-10-12-19(13-11-18)26-23(28)17-8-6-16(7-9-17)22-25-15-14-21(27-22)29-20-4-2-1-3-5-20/h1-15H,(H,26,28)
InChIKeyMNSUCVNIAFODQL-UHFFFAOYSA-N
MW446.30 g/mol
LogP5.95
Rot. Bonds5

About N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide

N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide (PubChem CID 46386484) has the molecular formula C23H16BrN3O2 and a molecular weight of 446.30 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
PubChem CID46386484
Molecular FormulaC23H16BrN3O2
Molecular Weight446.30 g/mol
Exact Mass445.04
IUPAC NameN-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1
InChIInChI=1S/C23H16BrN3O2/c24-18-10-12-19(13-11-18)26-23(28)17-8-6-16(7-9-17)22-25-15-14-21(27-22)29-20-4-2-1-3-5-20/h1-15H,(H,26,28)
InChIKeyMNSUCVNIAFODQL-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-(3,4-dimethylphenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386476
N-(4-methylphenyl)-4-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 53119851
N-(3,5-dimethylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386406
N-(4-bromophenyl)-4-phenylbenzamide
CID 1081912
N-(4-chlorophenyl)-3-[2-(4-methylphenyl)pyrimidin-4-yl]oxybenzamide
CID 46388831
N-[(4-methoxyphenyl)methyl]-4-(4-phenoxypyrimidin-2-yl)benzamide
CID 46386504
N-(3-chloro-4-methylphenyl)-4-[4-(4-methoxyphenoxy)pyrimidin-2-yl]benzamide
CID 46386407
N-(4-bromophenyl)-4-[[2-(4-fluorophenyl)pyrimidin-4-yl]amino]benzamide
CID 53006978
2-phenoxy-N-phenylpyridine-4-carboxamide
CID 19093380
N-(4-bromophenyl)-3-phenoxybenzamide
CID 1318843
4-[4-[(4-bromophenyl)carbamoyl]phenyl]benzoic acid
CID 155193999
3-(4-bromophenyl)-N-(4-phenoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030449

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
The IUPAC name of N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide (CID 46386484) is N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide.
What is the SMILES notation for N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
The canonical SMILES for N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide is O=C(Nc1ccc(Br)cc1)c1ccc(-c2nccc(Oc3ccccc3)n2)cc1.
What is the InChIKey of N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
The InChIKey is MNSUCVNIAFODQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16BrN3O2/c24-18-10-12-19(13-11-18)26-23(28)17-8-6-16(7-9-17)22-25-15-14-21(27-22)29-20-4-2-1-3-5-20/h1-15H,(H,26,28).
What are the key properties of N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide?
N-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-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-(4-bromophenyl)-4-(4-phenoxypyrimidin-2-yl)benzamide is sourced from PubChem (CID 46386484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).