N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide

C90H90BrCl4FN12O14S — CID 173202624

IUPACN-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCn1cc(C(=O)NCc2ccc(Br)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H24ClN3O5S.C23H24ClN3O3.C22H21BrClN3O3.C22H21ClFN3O3/c1-3-4-12-26-15-20(22(29)27(23(26)30)18-7-5-6-17(24)13-18)21(28)25-14-16-8-10-19(11-9-16)33(2,31)32;1-3-4-12-26-15-20(21(28)25-14-17-10-8-16(2)9-11-17)22(29)27(23(26)30)19-7-5-6-18(24)13-19;1-2-3-11-26-14-19(20(28)25-13-15-7-9-16(23)10-8-15)21(29)27(22(26)30)18-6-4-5-17(24)12-18;1-2-3-11-26-14-19(20(28)25-13-15-7-9-17(24)10-8-15)21(29)27(22(26)30)18-6-4-5-16(23)12-18/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28);5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28);2*4-10,12,14H,2-3,11,13H2,1H3,(H,25,28)
InChIKeyLIAKBYYXBIYJQB-UHFFFAOYSA-N
MW1836.56 g/mol
LogP14.14
Rot. Bonds29

About N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide

N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 173202624) has the molecular formula C90H90BrCl4FN12O14S and a molecular weight of 1836.56 g/mol. Its IUPAC name is N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID173202624
Molecular FormulaC90H90BrCl4FN12O14S
Molecular Weight1836.56 g/mol
Exact Mass1832.43
IUPAC NameN-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCCCCn1cc(C(=O)NCc2ccc(Br)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O
InChIInChI=1S/C23H24ClN3O5S.C23H24ClN3O3.C22H21BrClN3O3.C22H21ClFN3O3/c1-3-4-12-26-15-20(22(29)27(23(26)30)18-7-5-6-17(24)13-18)21(28)25-14-16-8-10-19(11-9-16)33(2,31)32;1-3-4-12-26-15-20(21(28)25-14-17-10-8-16(2)9-11-17)22(29)27(23(26)30)19-7-5-6-18(24)13-19;1-2-3-11-26-14-19(20(28)25-13-15-7-9-16(23)10-8-15)21(29)27(22(26)30)18-6-4-5-17(24)12-18;1-2-3-11-26-14-19(20(28)25-13-15-7-9-17(24)10-8-15)21(29)27(22(26)30)18-6-4-5-16(23)12-18/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28);5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28);2*4-10,12,14H,2-3,11,13H2,1H3,(H,25,28)
InChIKeyLIAKBYYXBIYJQB-UHFFFAOYSA-N
XLogP14.14
TPSA326.54 Ų
H-Bond Donors4
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms123
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001836.56
LogP ≤ 514.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1022

Analyze N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide with MolForge

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Related Compounds

1-butyl-N-[(4-chlorophenyl)methyl]-3-(3-methoxyphenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-methoxyphenyl)-N-[2-(3-methoxyphenyl)ethyl]-2,4-dioxopyrimidine-5-carboxamide;3-(3-chlorophenyl)-1-(2-methoxyethyl)-2,4-dioxo-N-[(4-pyrazol-1-ylphenyl)methyl]pyrimidine-5-carboxamide
CID 87968715
1-butyl-5-(2,5-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-2-oxopyridine-3-carboxamide
CID 23587807
2-methyl-5-[(4-methylsulfonylphenyl)methylcarbamoyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-sulfonic acid
CID 11847627
5-(2-bromopropanoyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 86614782
5-bromo-2-chloro-N-[(4-methylphenyl)methyl]benzamide
CID 974886
5-cyano-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66725168
5-[(cyclopropylamino)methyl]-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 68880473
2-methyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-3-N-pyrrolidin-1-yl-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68882213
5-(1-methoxyethyl)-6-methyl-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 68880601
5-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 42785293
6-methyl-4-[(2-methylpropanoylamino)carbamoyl]-N-[(4-methylsulfonylphenyl)methyl]-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 66725853
3-N-(2-hydroxyethyl)-3-N,2-dimethyl-5-N-[(4-methylsulfonylphenyl)methyl]-6-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3,5-dicarboxamide
CID 68880505

Frequently Asked Questions

What is the IUPAC name of N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide (CID 173202624) is N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide is CCCCn1cc(C(=O)NCc2ccc(Br)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.CCCCn1cc(C(=O)NCc2ccc(S(C)(=O)=O)cc2)c(=O)n(-c2cccc(Cl)c2)c1=O.
What is the InChIKey of N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is LIAKBYYXBIYJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5S.C23H24ClN3O3.C22H21BrClN3O3.C22H21ClFN3O3/c1-3-4-12-26-15-20(22(29)27(23(26)30)18-7-5-6-17(24)13-18)21(28)25-14-16-8-10-19(11-9-16)33(2,31)32;1-3-4-12-26-15-20(21(28)25-14-17-10-8-16(2)9-11-17)22(29)27(23(26)30)19-7-5-6-18(24)13-19;1-2-3-11-26-14-19(20(28)25-13-15-7-9-16(23)10-8-15)21(29)27(22(26)30)18-6-4-5-17(24)12-18;1-2-3-11-26-14-19(20(28)25-13-15-7-9-17(24)10-8-15)21(29)27(22(26)30)18-6-4-5-16(23)12-18/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28);5-11,13,15H,3-4,12,14H2,1-2H3,(H,25,28);2*4-10,12,14H,2-3,11,13H2,1H3,(H,25,28).
What are the key properties of N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide?
N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 1836.56 g/mol, XLogP of 14.14, 29 rotatable bonds, 4 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-bromophenyl)methyl]-1-butyl-3-(3-chlorophenyl)-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-fluorophenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide;1-butyl-3-(3-chlorophenyl)-N-[(4-methylsulfonylphenyl)methyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 173202624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).