1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

C20H17FN2O5 — CID 172965222

IUPAC1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESCOc1cccc(-c2ccc(C(=O)Cn3cc(F)c(=O)[nH]c3=O)cc2)c1OC
InChIInChI=1S/C20H17FN2O5/c1-27-17-5-3-4-14(18(17)28-2)12-6-8-13(9-7-12)16(24)11-23-10-15(21)19(25)22-20(23)26/h3-10H,11H2,1-2H3,(H,22,25,26)
InChIKeyYIERQBNDLOGOFW-UHFFFAOYSA-N
MW384.36 g/mol
LogP2.24
Rot. Bonds6

About 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione

1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 172965222) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
PubChem CID172965222
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione
SMILESCOc1cccc(-c2ccc(C(=O)Cn3cc(F)c(=O)[nH]c3=O)cc2)c1OC
InChIInChI=1S/C20H17FN2O5/c1-27-17-5-3-4-14(18(17)28-2)12-6-8-13(9-7-12)16(24)11-23-10-15(21)19(25)22-20(23)26/h3-10H,11H2,1-2H3,(H,22,25,26)
InChIKeyYIERQBNDLOGOFW-UHFFFAOYSA-N
XLogP2.24
TPSA90.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione (CID 172965222) is 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is COc1cccc(-c2ccc(C(=O)Cn3cc(F)c(=O)[nH]c3=O)cc2)c1OC.
What is the InChIKey of 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is YIERQBNDLOGOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-27-17-5-3-4-14(18(17)28-2)12-6-8-13(9-7-12)16(24)11-23-10-15(21)19(25)22-20(23)26/h3-10H,11H2,1-2H3,(H,22,25,26).
What are the key properties of 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione?
1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 384.36 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dimethoxyphenyl)phenyl]-2-oxoethyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 172965222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).