4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide

C22H22FN3O2 — CID 46980704

IUPAC4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2cccc(-c3ccc(F)cc3)c2)c(=O)n1
InChIInChI=1S/C22H22FN3O2/c1-15-13-16(2)26(22(28)24-15)12-4-7-21(27)25-20-6-3-5-18(14-20)17-8-10-19(23)11-9-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,25,27)
InChIKeySSEHWTRZZOGYPC-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.09
Rot. Bonds6

About 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide

4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide (PubChem CID 46980704) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide.

Molecular Properties

Compound Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide
PubChem CID46980704
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC Name4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide
SMILESCc1cc(C)n(CCCC(=O)Nc2cccc(-c3ccc(F)cc3)c2)c(=O)n1
InChIInChI=1S/C22H22FN3O2/c1-15-13-16(2)26(22(28)24-15)12-4-7-21(27)25-20-6-3-5-18(14-20)17-8-10-19(23)11-9-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,25,27)
InChIKeySSEHWTRZZOGYPC-UHFFFAOYSA-N
XLogP4.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide?
The IUPAC name of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide (CID 46980704) is 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide.
What is the SMILES notation for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide?
The canonical SMILES for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide is Cc1cc(C)n(CCCC(=O)Nc2cccc(-c3ccc(F)cc3)c2)c(=O)n1.
What is the InChIKey of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide?
The InChIKey is SSEHWTRZZOGYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-15-13-16(2)26(22(28)24-15)12-4-7-21(27)25-20-6-3-5-18(14-20)17-8-10-19(23)11-9-17/h3,5-6,8-11,13-14H,4,7,12H2,1-2H3,(H,25,27).
What are the key properties of 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide?
4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide has a molecular weight of 379.44 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,6-dimethyl-2-oxopyrimidin-1-yl)-N-[3-(4-fluorophenyl)phenyl]butanamide is sourced from PubChem (CID 46980704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).