3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide

C18H11ClF3N3O3 — CID 7137355

IUPAC3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H11ClF3N3O3/c19-11-3-7-13(8-4-11)25-16(27)14(9-23-17(25)28)15(26)24-12-5-1-10(2-6-12)18(20,21)22/h1-9H,(H,23,28)(H,24,26)
InChIKeyUTUCMVYHLJBUSR-UHFFFAOYSA-N
MW409.75 g/mol
LogP3.45
Rot. Bonds3

About 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide

3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide (PubChem CID 7137355) has the molecular formula C18H11ClF3N3O3 and a molecular weight of 409.75 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
PubChem CID7137355
Molecular FormulaC18H11ClF3N3O3
Molecular Weight409.75 g/mol
Exact Mass409.04
IUPAC Name3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O
InChIInChI=1S/C18H11ClF3N3O3/c19-11-3-7-13(8-4-11)25-16(27)14(9-23-17(25)28)15(26)24-12-5-1-10(2-6-12)18(20,21)22/h1-9H,(H,23,28)(H,24,26)
InChIKeyUTUCMVYHLJBUSR-UHFFFAOYSA-N
XLogP3.45
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.75
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[3-(4-chlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137362
N-(4-bromophenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137416
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473468
3-(3-chloro-4-fluorophenyl)-N-(4-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137455
3-[(2-chlorophenyl)methyl]-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 121027084
methyl 4-[[3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carbonyl]amino]benzoate
CID 7137421
3-(3,4-dimethylphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 3627238
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
3-(3,4-dimethoxyphenyl)-2,4-dioxo-N-[3-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 16815268
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 16815260

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide (CID 7137355) is 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(C(F)(F)F)cc1)c1c[nH]c(=O)n(-c2ccc(Cl)cc2)c1=O.
What is the InChIKey of 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is UTUCMVYHLJBUSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClF3N3O3/c19-11-3-7-13(8-4-11)25-16(27)14(9-23-17(25)28)15(26)24-12-5-1-10(2-6-12)18(20,21)22/h1-9H,(H,23,28)(H,24,26).
What are the key properties of 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide?
3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 409.75 g/mol, XLogP of 3.45, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7137355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).