2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

C13H12BrN3O3 — CID 2148483

IUPAC2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2ccccc2Br)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12BrN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,19)
InChIKeyLNTIQXRRIZQTHU-UHFFFAOYSA-N
MW338.16 g/mol
LogP1.10
Rot. Bonds2

About 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide

2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (PubChem CID 2148483) has the molecular formula C13H12BrN3O3 and a molecular weight of 338.16 g/mol. Its IUPAC name is 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
PubChem CID2148483
Molecular FormulaC13H12BrN3O3
Molecular Weight338.16 g/mol
Exact Mass337.01
IUPAC Name2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide
SMILESCn1c(NC(=O)c2ccccc2Br)cc(=O)n(C)c1=O
InChIInChI=1S/C13H12BrN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,19)
InChIKeyLNTIQXRRIZQTHU-UHFFFAOYSA-N
XLogP1.10
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.16
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Bromo-N-methylbenzamide
CID 264945
N-(3,5-dibromobenzoyl)piperidine-1-carboxamide
CID 2741479
3-Benzoyluracil
CID 569513
2-bromo-N-[(4-methyl-1-piperidinyl)carbonothioyl]benzamide
CID 797401
2-bromo-N-[cyclohexyl(methyl)carbamothioyl]benzamide
CID 1226755
2-bromo-N-[(butylamino)carbonothioyl]benzamide
CID 1581363
5-bromo-2-chloro-N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)benzamide
CID 2148450
N-(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)-2-fluorobenzamide
CID 2148458
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(trifluoromethyl)benzamide
CID 2148459
N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-methylbenzamide
CID 2148495
N-(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)-3,4-difluorobenzamide
CID 2148513
N-(2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinyl)m-bromobenzamide
CID 2148535

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The IUPAC name of 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide (CID 2148483) is 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide.
What is the SMILES notation for 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The canonical SMILES for 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is Cn1c(NC(=O)c2ccccc2Br)cc(=O)n(C)c1=O.
What is the InChIKey of 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
The InChIKey is LNTIQXRRIZQTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3O3/c1-16-10(7-11(18)17(2)13(16)20)15-12(19)8-5-3-4-6-9(8)14/h3-7H,1-2H3,(H,15,19).
What are the key properties of 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide?
2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide has a molecular weight of 338.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)benzamide is sourced from PubChem (CID 2148483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).