1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide

C19H13FN4O4 — CID 23523816

IUPAC1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(N)=O)cc(=O)n(-c2cc(Oc3ccccc3)c(C#N)cc2F)c1=O
InChIInChI=1S/C19H13FN4O4/c1-23-15(18(22)26)9-17(25)24(19(23)27)14-8-16(11(10-21)7-13(14)20)28-12-5-3-2-4-6-12/h2-9H,1H3,(H2,22,26)
InChIKeyAINWQDQTSCVBNG-UHFFFAOYSA-N
MW380.34 g/mol
LogP1.44
Rot. Bonds4

About 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide

1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 23523816) has the molecular formula C19H13FN4O4 and a molecular weight of 380.34 g/mol. Its IUPAC name is 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound Name1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID23523816
Molecular FormulaC19H13FN4O4
Molecular Weight380.34 g/mol
Exact Mass380.09
IUPAC Name1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(N)=O)cc(=O)n(-c2cc(Oc3ccccc3)c(C#N)cc2F)c1=O
InChIInChI=1S/C19H13FN4O4/c1-23-15(18(22)26)9-17(25)24(19(23)27)14-8-16(11(10-21)7-13(14)20)28-12-5-3-2-4-6-12/h2-9H,1H3,(H2,22,26)
InChIKeyAINWQDQTSCVBNG-UHFFFAOYSA-N
XLogP1.44
TPSA120.11 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide (CID 23523816) is 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(N)=O)cc(=O)n(-c2cc(Oc3ccccc3)c(C#N)cc2F)c1=O.
What is the InChIKey of 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is AINWQDQTSCVBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN4O4/c1-23-15(18(22)26)9-17(25)24(19(23)27)14-8-16(11(10-21)7-13(14)20)28-12-5-3-2-4-6-12/h2-9H,1H3,(H2,22,26).
What are the key properties of 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide?
1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 380.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyano-2-fluoro-5-phenoxyphenyl)-3-methyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 23523816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).