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

C17H10ClF2N3O3 — CID 7137461

IUPAC3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C17H10ClF2N3O3/c18-11-7-9(5-6-12(11)19)23-16(25)10(8-21-17(23)26)15(24)22-14-4-2-1-3-13(14)20/h1-8H,(H,21,26)(H,22,24)
InChIKeyQVKTWUIVERQYGJ-UHFFFAOYSA-N
MW377.73 g/mol
LogP2.71
Rot. Bonds3

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

3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 7137461) has the molecular formula C17H10ClF2N3O3 and a molecular weight of 377.73 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID7137461
Molecular FormulaC17H10ClF2N3O3
Molecular Weight377.73 g/mol
Exact Mass377.04
IUPAC Name3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccccc1F)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O
InChIInChI=1S/C17H10ClF2N3O3/c18-11-7-9(5-6-12(11)19)23-16(25)10(8-21-17(23)26)15(24)22-14-4-2-1-3-13(14)20/h1-8H,(H,21,26)(H,22,24)
InChIKeyQVKTWUIVERQYGJ-UHFFFAOYSA-N
XLogP2.71
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.73
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 7137461) is 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(Nc1ccccc1F)c1c[nH]c(=O)n(-c2ccc(F)c(Cl)c2)c1=O.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is QVKTWUIVERQYGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10ClF2N3O3/c18-11-7-9(5-6-12(11)19)23-16(25)10(8-21-17(23)26)15(24)22-14-4-2-1-3-13(14)20/h1-8H,(H,21,26)(H,22,24).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
3-(3-chloro-4-fluorophenyl)-N-(2-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 377.73 g/mol, XLogP of 2.71, 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-fluorophenyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 7137461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).