N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C25H20FN3O3 — CID 71778421

IUPACN-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C25H20FN3O3/c26-21-14-8-7-13-19(21)16-29-24(31)20(15-27-25(29)32)23(30)28-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,22H,16H2,(H,27,32)(H,28,30)
InChIKeyNYIRDIXXJDRZDB-UHFFFAOYSA-N
MW429.45 g/mol
LogP3.24
Rot. Bonds6

About N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 71778421) has the molecular formula C25H20FN3O3 and a molecular weight of 429.45 g/mol. Its IUPAC name is N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID71778421
Molecular FormulaC25H20FN3O3
Molecular Weight429.45 g/mol
Exact Mass429.15
IUPAC NameN-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(c1ccccc1)c1ccccc1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O
InChIInChI=1S/C25H20FN3O3/c26-21-14-8-7-13-19(21)16-29-24(31)20(15-27-25(29)32)23(30)28-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,22H,16H2,(H,27,32)(H,28,30)
InChIKeyNYIRDIXXJDRZDB-UHFFFAOYSA-N
XLogP3.24
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.45
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 71778421) is N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC(c1ccccc1)c1ccccc1)c1c[nH]c(=O)n(Cc2ccccc2F)c1=O.
What is the InChIKey of N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is NYIRDIXXJDRZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20FN3O3/c26-21-14-8-7-13-19(21)16-29-24(31)20(15-27-25(29)32)23(30)28-22(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-15,22H,16H2,(H,27,32)(H,28,30).
What are the key properties of N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 429.45 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzhydryl-3-[(2-fluorophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 71778421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).