1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione

C19H13Cl2FN2O3 — CID 58058410

IUPAC1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(Cc1ccccc1Cc1c(Cl)cccc1Cl)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C19H13Cl2FN2O3/c20-14-6-3-7-15(21)13(14)8-11-4-1-2-5-12(11)9-17(25)24-10-16(22)18(26)23-19(24)27/h1-7,10H,8-9H2,(H,23,26,27)
InChIKeyHCPJITIPEQIJBY-UHFFFAOYSA-N
MW407.23 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione

1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione (PubChem CID 58058410) has the molecular formula C19H13Cl2FN2O3 and a molecular weight of 407.23 g/mol. Its IUPAC name is 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
PubChem CID58058410
Molecular FormulaC19H13Cl2FN2O3
Molecular Weight407.23 g/mol
Exact Mass406.03
IUPAC Name1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione
SMILESO=C(Cc1ccccc1Cc1c(Cl)cccc1Cl)n1cc(F)c(=O)[nH]c1=O
InChIInChI=1S/C19H13Cl2FN2O3/c20-14-6-3-7-15(21)13(14)8-11-4-1-2-5-12(11)9-17(25)24-10-16(22)18(26)23-19(24)27/h1-7,10H,8-9H2,(H,23,26,27)
InChIKeyHCPJITIPEQIJBY-UHFFFAOYSA-N
XLogP3.46
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.23
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
The IUPAC name of 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione (CID 58058410) is 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
The canonical SMILES for 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione is O=C(Cc1ccccc1Cc1c(Cl)cccc1Cl)n1cc(F)c(=O)[nH]c1=O.
What is the InChIKey of 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
The InChIKey is HCPJITIPEQIJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2FN2O3/c20-14-6-3-7-15(21)13(14)8-11-4-1-2-5-12(11)9-17(25)24-10-16(22)18(26)23-19(24)27/h1-7,10H,8-9H2,(H,23,26,27).
What are the key properties of 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione?
1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione has a molecular weight of 407.23 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(2,6-dichlorophenyl)methyl]phenyl]acetyl]-5-fluoropyrimidine-2,4-dione is sourced from PubChem (CID 58058410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).