2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide

C17H9ClF3N3O2 — CID 108799261

IUPAC2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H9ClF3N3O2/c18-9-3-1-8(2-4-9)15-22-7-10(17(26)24-15)16(25)23-12-6-5-11(19)13(20)14(12)21/h1-7H,(H,23,25)(H,22,24,26)
InChIKeySMYIDQBGGGQZFE-UHFFFAOYSA-N
MW379.73 g/mol
LogP3.76
Rot. Bonds3

About 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide

2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide (PubChem CID 108799261) has the molecular formula C17H9ClF3N3O2 and a molecular weight of 379.73 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
PubChem CID108799261
Molecular FormulaC17H9ClF3N3O2
Molecular Weight379.73 g/mol
Exact Mass379.03
IUPAC Name2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O
InChIInChI=1S/C17H9ClF3N3O2/c18-9-3-1-8(2-4-9)15-22-7-10(17(26)24-15)16(25)23-12-6-5-11(19)13(20)14(12)21/h1-7H,(H,23,25)(H,22,24,26)
InChIKeySMYIDQBGGGQZFE-UHFFFAOYSA-N
XLogP3.76
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.73
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorophenyl)-N-(2,3-dichlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786151
4-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-3-hydroxybenzoic acid
CID 108799385
N-(4-bromo-2-methylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799250
2-(4-chlorophenyl)-N-(5-methyl-1,3-thiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799405
N-(4-bromo-2-fluorophenyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 92648639
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786212
N-(2-chloro-4,6-dimethylphenyl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108786335
N-(3-carbamoyl-4,5-dimethylthiophen-2-yl)-2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799334
2-(4-chlorophenyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799350
2-(4-chlorophenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)-1H-pyrimidine-5-carboxamide
CID 108799351
2-[[2-(4-chlorophenyl)-6-oxo-1H-pyrimidine-5-carbonyl]amino]-2-methylbutanoic acid
CID 108799274
2-(4-chlorophenyl)-N-(3-cyano-4,5-diphenylfuran-2-yl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 108799328

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide (CID 108799261) is 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1cnc(-c2ccc(Cl)cc2)[nH]c1=O.
What is the InChIKey of 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is SMYIDQBGGGQZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9ClF3N3O2/c18-9-3-1-8(2-4-9)15-22-7-10(17(26)24-15)16(25)23-12-6-5-11(19)13(20)14(12)21/h1-7H,(H,23,25)(H,22,24,26).
What are the key properties of 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide?
2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 379.73 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-oxo-N-(2,3,4-trifluorophenyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 108799261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).