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

C17H11BrFN3O3 — CID 7137416

IUPACN-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H11BrFN3O3/c18-10-1-5-12(6-2-10)21-15(23)14-9-20-17(25)22(16(14)24)13-7-3-11(19)4-8-13/h1-9H,(H,20,25)(H,21,23)
InChIKeyVLHRAUKDJNALHC-UHFFFAOYSA-N
MW404.20 g/mol
LogP2.68
Rot. Bonds3

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

N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 7137416) has the molecular formula C17H11BrFN3O3 and a molecular weight of 404.20 g/mol. Its IUPAC name is N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID7137416
Molecular FormulaC17H11BrFN3O3
Molecular Weight404.20 g/mol
Exact Mass403.00
IUPAC NameN-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C17H11BrFN3O3/c18-10-1-5-12(6-2-10)21-15(23)14-9-20-17(25)22(16(14)24)13-7-3-11(19)4-8-13/h1-9H,(H,20,25)(H,21,23)
InChIKeyVLHRAUKDJNALHC-UHFFFAOYSA-N
XLogP2.68
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.20
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 7137355
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362
N-(3-fluoro-4-methylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137394
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137439
N-(4-carbamoylphenyl)-3-(4-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5096654
3-(3-chloro-4-fluorophenyl)-N-(4-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137455
N,3-bis(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028331
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 7137416) is N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1c[nH]c(=O)n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VLHRAUKDJNALHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O3/c18-10-1-5-12(6-2-10)21-15(23)14-9-20-17(25)22(16(14)24)13-7-3-11(19)4-8-13/h1-9H,(H,20,25)(H,21,23).
What are the key properties of N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 404.20 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7137416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).