2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide

C16H17F2N3O2 — CID 121063521

IUPAC2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C16H17F2N3O2/c1-2-3-4-11-8-16(23)21(10-19-11)9-15(22)20-12-5-6-13(17)14(18)7-12/h5-8,10H,2-4,9H2,1H3,(H,20,22)
InChIKeyIVJJJHSLRRPAOR-UHFFFAOYSA-N
MW321.33 g/mol
LogP2.50
Rot. Bonds6

About 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide (PubChem CID 121063521) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
PubChem CID121063521
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)cn1
InChIInChI=1S/C16H17F2N3O2/c1-2-3-4-11-8-16(23)21(10-19-11)9-15(22)20-12-5-6-13(17)14(18)7-12/h5-8,10H,2-4,9H2,1H3,(H,20,22)
InChIKeyIVJJJHSLRRPAOR-UHFFFAOYSA-N
XLogP2.50
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 121063585
N-(4-butylphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064337
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121063523
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(3-fluorophenyl)acetamide
CID 121064421
N-(1,3-benzothiazol-2-yl)-2-(4-butyl-6-oxopyrimidin-1-yl)acetamide
CID 121063537
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-cyano-4-nitrophenyl)acetamide
CID 121063612
2-(benzimidazol-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 3578169
N-(3,4-difluorophenyl)propanamide
CID 4285365
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 121064301
N-[3,5-bis(trifluoromethyl)phenyl]-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064355
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide (CID 121063521) is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide is CCCCc1cc(=O)n(CC(=O)Nc2ccc(F)c(F)c2)cn1.
What is the InChIKey of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide?
The InChIKey is IVJJJHSLRRPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-2-3-4-11-8-16(23)21(10-19-11)9-15(22)20-12-5-6-13(17)14(18)7-12/h5-8,10H,2-4,9H2,1H3,(H,20,22).
What are the key properties of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide?
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide has a molecular weight of 321.33 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 121063521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).