N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

C15H16FN3O2 — CID 45496977

IUPACN-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C15H16FN3O2/c1-10(2)13-7-15(21)19(9-17-13)8-14(20)18-12-5-3-4-11(16)6-12/h3-7,9-10H,8H2,1-2H3,(H,18,20)
InChIKeyRLAZARQZIMBHAQ-UHFFFAOYSA-N
MW289.31 g/mol
LogP2.14
Rot. Bonds4

About N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide

N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (PubChem CID 45496977) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
PubChem CID45496977
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide
SMILESCC(C)c1cc(=O)n(CC(=O)Nc2cccc(F)c2)cn1
InChIInChI=1S/C15H16FN3O2/c1-10(2)13-7-15(21)19(9-17-13)8-14(20)18-12-5-3-4-11(16)6-12/h3-7,9-10H,8H2,1-2H3,(H,18,20)
InChIKeyRLAZARQZIMBHAQ-UHFFFAOYSA-N
XLogP2.14
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The IUPAC name of N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide (CID 45496977) is N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The canonical SMILES for N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is CC(C)c1cc(=O)n(CC(=O)Nc2cccc(F)c2)cn1.
What is the InChIKey of N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
The InChIKey is RLAZARQZIMBHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-10(2)13-7-15(21)19(9-17-13)8-14(20)18-12-5-3-4-11(16)6-12/h3-7,9-10H,8H2,1-2H3,(H,18,20).
What are the key properties of N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide?
N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-2-(6-oxo-4-propan-2-ylpyrimidin-1-yl)acetamide is sourced from PubChem (CID 45496977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).