4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide

C18H14BrN3O3 — CID 21089386

IUPAC4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C18H14BrN3O3/c19-15-17(25-10-12-4-2-1-3-5-12)21-11-22(18(15)24)14-8-6-13(7-9-14)16(20)23/h1-9,11H,10H2,(H2,20,23)
InChIKeyURUBQSCOSVNOOM-UHFFFAOYSA-N
MW400.23 g/mol
LogP2.67
Rot. Bonds5

About 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide

4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide (PubChem CID 21089386) has the molecular formula C18H14BrN3O3 and a molecular weight of 400.23 g/mol. Its IUPAC name is 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide.

Molecular Properties

Compound Name4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
PubChem CID21089386
Molecular FormulaC18H14BrN3O3
Molecular Weight400.23 g/mol
Exact Mass399.02
IUPAC Name4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide
SMILESNC(=O)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1
InChIInChI=1S/C18H14BrN3O3/c19-15-17(25-10-12-4-2-1-3-5-12)21-11-22(18(15)24)14-8-6-13(7-9-14)16(20)23/h1-9,11H,10H2,(H2,20,23)
InChIKeyURUBQSCOSVNOOM-UHFFFAOYSA-N
XLogP2.67
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-methyl-6-phenylmethoxypyrimidin-4-one
CID 21090152
5-bromo-3-[(4-bromophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090138
N-(2-aminoethyl)-3-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)propanamide;hydrochloride
CID 21090232
5-bromo-3-[(3-fluorophenyl)methyl]-6-phenylmethoxypyrimidin-4-one
CID 21090133
(4-carbamoylphenyl)methyl 3-phenylimidazole-4-carboxylate
CID 26965172
3-[(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)methyl]piperidine-1-carboxylic acid
CID 174525193
1-benzyl-N-(4-carbamoylphenyl)-3-phenylmethoxypyrazole-4-carboxamide
CID 16925719
1-(4-phenylmethoxyphenyl)benzimidazole-5-carboxylic acid
CID 4525945
[4-(trifluoromethoxy)phenyl]methyl 4-(4-oxoquinazolin-3-yl)benzoate
CID 47021865
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
1-benzyl-5-methyl-6-oxo-4-phenylmethoxypyrimidine-2-carboxamide;ethane
CID 91424433
4-(2-phenylethyl)benzamide
CID 23130460

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
The IUPAC name of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide (CID 21089386) is 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide.
What is the SMILES notation for 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
The canonical SMILES for 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide is NC(=O)c1ccc(-n2cnc(OCc3ccccc3)c(Br)c2=O)cc1.
What is the InChIKey of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
The InChIKey is URUBQSCOSVNOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O3/c19-15-17(25-10-12-4-2-1-3-5-12)21-11-22(18(15)24)14-8-6-13(7-9-14)16(20)23/h1-9,11H,10H2,(H2,20,23).
What are the key properties of 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide?
4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide has a molecular weight of 400.23 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromo-6-oxo-4-phenylmethoxypyrimidin-1-yl)benzamide is sourced from PubChem (CID 21089386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).