N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C17H11BrFN3O2 — CID 92648639

IUPACN-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H11BrFN3O2/c18-11-6-7-14(13(19)8-11)21-16(23)12-9-20-15(22-17(12)24)10-4-2-1-3-5-10/h1-9H,(H,21,23)(H,20,22,24)
InChIKeyXMVOBNPVAMXMIH-UHFFFAOYSA-N
MW388.20 g/mol
LogP3.59
Rot. Bonds3

About N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648639) has the molecular formula C17H11BrFN3O2 and a molecular weight of 388.20 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648639
Molecular FormulaC17H11BrFN3O2
Molecular Weight388.20 g/mol
Exact Mass387.00
IUPAC NameN-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C17H11BrFN3O2/c18-11-6-7-14(13(19)8-11)21-16(23)12-9-20-15(22-17(12)24)10-4-2-1-3-5-10/h1-9H,(H,21,23)(H,20,22,24)
InChIKeyXMVOBNPVAMXMIH-UHFFFAOYSA-N
XLogP3.59
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.20
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648623
N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250
N-(2,4-dimethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648606
N-(2-ethylphenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648612
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
CID 108799261
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648753
2-(3-bromophenyl)-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 62021110
6-oxo-N-(4-phenoxyphenyl)-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648652
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385
2-(benzenesulfonamido)-N-(4-bromo-2-fluorophenyl)benzamide
CID 4223375
2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648657

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648639) is N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(Br)cc1F)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is XMVOBNPVAMXMIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrFN3O2/c18-11-6-7-14(13(19)8-11)21-16(23)12-9-20-15(22-17(12)24)10-4-2-1-3-5-10/h1-9H,(H,21,23)(H,20,22,24).
What are the key properties of N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 388.20 g/mol, XLogP of 3.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).