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

C17H9Cl3FN3O3 — CID 16815260

IUPAC3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C17H9Cl3FN3O3/c18-8-1-3-11(19)14(5-8)23-15(25)10-7-22-17(27)24(16(10)26)9-2-4-13(21)12(20)6-9/h1-7H,(H,22,27)(H,23,25)
InChIKeyVJPGUUXDUXOHRT-UHFFFAOYSA-N
MW428.63 g/mol
LogP3.88
Rot. Bonds3

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

3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 16815260) has the molecular formula C17H9Cl3FN3O3 and a molecular weight of 428.63 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID16815260
Molecular FormulaC17H9Cl3FN3O3
Molecular Weight428.63 g/mol
Exact Mass426.97
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C17H9Cl3FN3O3/c18-8-1-3-11(19)14(5-8)23-15(25)10-7-22-17(27)24(16(10)26)9-2-4-13(21)12(20)6-9/h1-7H,(H,22,27)(H,23,25)
InChIKeyVJPGUUXDUXOHRT-UHFFFAOYSA-N
XLogP3.88
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.63
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137461
N-(2,5-dichlorophenyl)-3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 121025290
3-(3-chloro-4-fluorophenyl)-N-(4-nitrophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137455
N-[2-chloro-5-(trifluoromethyl)phenyl]-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473468
N-(3-chloro-2-methylphenyl)-3-(4-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137439
N-(2,4-difluorophenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7137494
3-(4-chlorophenyl)-2,4-dioxo-N-[4-(trifluoromethyl)phenyl]-1H-pyrimidine-5-carboxamide
CID 7137355
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
5-acetyl-3-(3,4-difluorophenyl)-1H-pyrimidine-2,4-dione
CID 80643335
N-(3,5-dichlorophenyl)-3-(3-methoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 7080837
N-(2,5-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 41028328
N-(2,5-dichlorophenyl)-5-methyl-2,4-dioxo-3-phenyl-1H-pyrrolo[3,2-d]pyrimidine-7-carboxamide
CID 41230501

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 16815260) is 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1cc(Cl)ccc1Cl)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is VJPGUUXDUXOHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl3FN3O3/c18-8-1-3-11(19)14(5-8)23-15(25)10-7-22-17(27)24(16(10)26)9-2-4-13(21)12(20)6-9/h1-7H,(H,22,27)(H,23,25).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 428.63 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-N-(2,5-dichlorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 16815260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).