N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C12H9BrFN3O3 — CID 61299281

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H9BrFN3O3/c13-7-1-2-9(14)6(3-7)4-15-10(18)8-5-16-12(20)17-11(8)19/h1-3,5H,4H2,(H,15,18)(H2,16,17,19,20)
InChIKeyNPMRNIOLZUVFJD-UHFFFAOYSA-N
MW342.12 g/mol
LogP0.89
Rot. Bonds3

About N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 61299281) has the molecular formula C12H9BrFN3O3 and a molecular weight of 342.12 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID61299281
Molecular FormulaC12H9BrFN3O3
Molecular Weight342.12 g/mol
Exact Mass340.98
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NCc1cc(Br)ccc1F)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C12H9BrFN3O3/c13-7-1-2-9(14)6(3-7)4-15-10(18)8-5-16-12(20)17-11(8)19/h1-3,5H,4H2,(H,15,18)(H2,16,17,19,20)
InChIKeyNPMRNIOLZUVFJD-UHFFFAOYSA-N
XLogP0.89
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.12
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037
N-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076
N-[(5-bromo-2-fluorophenyl)methyl]-2-iodobenzamide
CID 46592497
2-amino-4-bromo-N-[(5-bromo-2-fluorophenyl)methyl]benzamide
CID 79722261
N-[(5-bromo-2-fluorophenyl)methyl]-2,3-difluorobenzamide
CID 62650266
N-[(5-bromo-2-fluorophenyl)methyl]-4-fluorobenzamide
CID 46460791
3-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-5-fluorobenzamide
CID 63529302
2,5-dibromo-N-[(2,5-difluorophenyl)methyl]benzamide
CID 114372361
2-bromo-N-[(5-bromo-2-fluorophenyl)methyl]-3-methylbenzamide
CID 103853140
5-bromo-2-chloro-N-[(2,5-difluorophenyl)methyl]benzamide
CID 63373247
5-bromo-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]benzoic acid
CID 62073266
N-[(5-bromo-2-fluorophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283617

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 61299281) is N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NCc1cc(Br)ccc1F)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NPMRNIOLZUVFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFN3O3/c13-7-1-2-9(14)6(3-7)4-15-10(18)8-5-16-12(20)17-11(8)19/h1-3,5H,4H2,(H,15,18)(H2,16,17,19,20).
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 342.12 g/mol, XLogP of 0.89, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 61299281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).