N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

C18H11F4N3O2 — CID 92648757

IUPACN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H11F4N3O2/c19-14-7-6-11(8-13(14)18(20,21)22)24-16(26)12-9-23-15(25-17(12)27)10-4-2-1-3-5-10/h1-9H,(H,24,26)(H,23,25,27)
InChIKeyMOAWEVUOXCEFSO-UHFFFAOYSA-N
MW377.30 g/mol
LogP3.85
Rot. Bonds3

About N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide

N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 92648757) has the molecular formula C18H11F4N3O2 and a molecular weight of 377.30 g/mol. Its IUPAC name is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID92648757
Molecular FormulaC18H11F4N3O2
Molecular Weight377.30 g/mol
Exact Mass377.08
IUPAC NameN-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O
InChIInChI=1S/C18H11F4N3O2/c19-14-7-6-11(8-13(14)18(20,21)22)24-16(26)12-9-23-15(25-17(12)27)10-4-2-1-3-5-10/h1-9H,(H,24,26)(H,23,25,27)
InChIKeyMOAWEVUOXCEFSO-UHFFFAOYSA-N
XLogP3.85
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.30
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide (CID 92648757) is N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is O=C(Nc1ccc(F)c(C(F)(F)F)c1)c1cnc(-c2ccccc2)[nH]c1=O.
What is the InChIKey of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is MOAWEVUOXCEFSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3O2/c19-14-7-6-11(8-13(14)18(20,21)22)24-16(26)12-9-23-15(25-17(12)27)10-4-2-1-3-5-10/h1-9H,(H,24,26)(H,23,25,27).
What are the key properties of N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide?
N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 377.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-fluoro-3-(trifluoromethyl)phenyl]-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 92648757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).