N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

C16H12FN3O3 — CID 121090675

IUPACN-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c17-11-3-5-12(6-4-11)19-15(21)9-20-10-18-13(8-16(20)22)14-2-1-7-23-14/h1-8,10H,9H2,(H,19,21)
InChIKeyWUPSWNCZDJMSNA-UHFFFAOYSA-N
MW313.29 g/mol
LogP2.28
Rot. Bonds4

About N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide

N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (PubChem CID 121090675) has the molecular formula C16H12FN3O3 and a molecular weight of 313.29 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
PubChem CID121090675
Molecular FormulaC16H12FN3O3
Molecular Weight313.29 g/mol
Exact Mass313.09
IUPAC NameN-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
SMILESO=C(Cn1cnc(-c2ccco2)cc1=O)Nc1ccc(F)cc1
InChIInChI=1S/C16H12FN3O3/c17-11-3-5-12(6-4-11)19-15(21)9-20-10-18-13(8-16(20)22)14-2-1-7-23-14/h1-8,10H,9H2,(H,19,21)
InChIKeyWUPSWNCZDJMSNA-UHFFFAOYSA-N
XLogP2.28
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,5-difluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090685
N-(3-acetamidophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090680
N-(4-butylphenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090581
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-quinolin-6-ylacetamide
CID 121090721
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[3-(methanesulfonamido)phenyl]acetamide
CID 121090719
N-[2-[[2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetyl]amino]ethyl]-4-(propanoylamino)benzamide
CID 121090735
N-(1,3-benzothiazol-2-yl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide
CID 121090557
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(2-oxochromen-3-yl)acetamide
CID 121090653
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 121090531
2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
CID 121090616
N-ethyl-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]-N-phenylacetamide
CID 121090622

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide (CID 121090675) is N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is O=C(Cn1cnc(-c2ccco2)cc1=O)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
The InChIKey is WUPSWNCZDJMSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN3O3/c17-11-3-5-12(6-4-11)19-15(21)9-20-10-18-13(8-16(20)22)14-2-1-7-23-14/h1-8,10H,9H2,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide?
N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide has a molecular weight of 313.29 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[4-(furan-2-yl)-6-oxopyrimidin-1-yl]acetamide is sourced from PubChem (CID 121090675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).