N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

C16H11F2N3O3 — CID 121090685

IUPACN-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H11F2N3O3/c17-10-3-4-11(18)12(6-10)20-15(22)8-21-9-19-13(7-16(21)23)14-2-1-5-24-14/h1-7,9H,8H2,(H,20,22)
InChIKeySWEVGFCTBVEJSW-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.42
Rot. Bonds4

About N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121090685) has the molecular formula C16H11F2N3O3 and a molecular weight of 331.28 g/mol. Its IUPAC name is N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121090685
Molecular FormulaC16H11F2N3O3
Molecular Weight331.28 g/mol
Exact Mass331.08
IUPAC NameN-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc(F)ccc1F
InChIInChI=1S/C16H11F2N3O3/c17-10-3-4-11(18)12(6-10)20-15(22)8-21-9-19-13(7-16(21)23)14-2-1-5-24-14/h1-7,9H,8H2,(H,20,22)
InChIKeySWEVGFCTBVEJSW-UHFFFAOYSA-N
XLogP2.42
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090675
N-[2-(4-fluorophenyl)ethyl]-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090714
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121090653
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
2-[4-(1,3-benzodioxol-5-yl)-6-oxopyrimidin-1-yl]-N-(2,5-difluorophenyl)acetamide
CID 30935655
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-quinolin-6-ylacetamide
CID 121090721
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
N-(2,5-difluorophenyl)-2-(furan-2-ylmethylsulfanyl)acetamide
CID 112780738

Frequently Asked Questions

What is the IUPAC name of N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (CID 121090685) is N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is O=C(Cn1cnc(-c2ccco2)cc1=O)Nc1cc(F)ccc1F.
What is the InChIKey of N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is SWEVGFCTBVEJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2N3O3/c17-10-3-4-11(18)12(6-10)20-15(22)8-21-9-19-13(7-16(21)23)14-2-1-5-24-14/h1-7,9H,8H2,(H,20,22).
What are the key properties of N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 331.28 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121090685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).