N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

C15H16FN3O3 — CID 84555565

IUPACN-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCc2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C15H16FN3O3/c1-18-9-12(14(21)19(2)15(18)22)13(20)17-8-7-10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyPHTPOPZIAZYARF-UHFFFAOYSA-N
MW305.31 g/mol
LogP0.20
Rot. Bonds4

About N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide

N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84555565) has the molecular formula C15H16FN3O3 and a molecular weight of 305.31 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84555565
Molecular FormulaC15H16FN3O3
Molecular Weight305.31 g/mol
Exact Mass305.12
IUPAC NameN-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1cc(C(=O)NCCc2ccc(F)cc2)c(=O)n(C)c1=O
InChIInChI=1S/C15H16FN3O3/c1-18-9-12(14(21)19(2)15(18)22)13(20)17-8-7-10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,20)
InChIKeyPHTPOPZIAZYARF-UHFFFAOYSA-N
XLogP0.20
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.31
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide (CID 84555565) is N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is Cn1cc(C(=O)NCCc2ccc(F)cc2)c(=O)n(C)c1=O.
What is the InChIKey of N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is PHTPOPZIAZYARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O3/c1-18-9-12(14(21)19(2)15(18)22)13(20)17-8-7-10-3-5-11(16)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,17,20).
What are the key properties of N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide?
N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 305.31 g/mol, XLogP of 0.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84555565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).