N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C18H13BrFN3O3 — CID 121026754

IUPACN-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C18H13BrFN3O3/c19-12-5-3-6-13(8-12)22-16(24)14-9-21-18(26)23(17(14)25)10-11-4-1-2-7-15(11)20/h1-9H,10H2,(H,21,26)(H,22,24)
InChIKeyDINOWYVXHJEIQP-UHFFFAOYSA-N
MW418.22 g/mol
LogP2.74
Rot. Bonds4

About N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 121026754) has the molecular formula C18H13BrFN3O3 and a molecular weight of 418.22 g/mol. Its IUPAC name is N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID121026754
Molecular FormulaC18H13BrFN3O3
Molecular Weight418.22 g/mol
Exact Mass417.01
IUPAC NameN-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C18H13BrFN3O3/c19-12-5-3-6-13(8-12)22-16(24)14-9-21-18(26)23(17(14)25)10-11-4-1-2-7-15(11)20/h1-9H,10H2,(H,21,26)(H,22,24)
InChIKeyDINOWYVXHJEIQP-UHFFFAOYSA-N
XLogP2.74
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.22
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026748
N-(4-bromo-2-methylphenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121026744
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(3,4,5-trimethoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026900
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(4-phenoxyphenyl)-1H-pyrimidine-5-carboxamide
CID 121026774
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-quinolin-3-yl-1H-pyrimidine-5-carboxamide
CID 121026784
5-acetyl-3-[(2-fluorophenyl)methyl]-1H-pyrimidine-2,4-dione
CID 80642970
3-[(2-fluorophenyl)methyl]-N-(5-methyl-1,2-oxazol-3-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 71778419
3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxylic acid
CID 165435259
3-[(2-chlorophenyl)methyl]-N-(3-fluoro-4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121027099
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 121027030
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-pyrazin-2-yl-1H-pyrimidine-5-carboxamide
CID 121026910
3-[(2-fluorophenyl)methyl]-2,4-dioxo-N-(2-oxochromen-3-yl)-1H-pyrimidine-5-carboxamide
CID 121026804

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 121026754) is N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1cccc(Br)c1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is DINOWYVXHJEIQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrFN3O3/c19-12-5-3-6-13(8-12)22-16(24)14-9-21-18(26)23(17(14)25)10-11-4-1-2-7-15(11)20/h1-9H,10H2,(H,21,26)(H,22,24).
What are the key properties of N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 418.22 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 121026754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).