N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide

C18H16FN3O3 — CID 15988387

IUPACN-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2=NC(c3ccccc3F)CC(=O)N2)c1
InChIInChI=1S/C18H16FN3O3/c1-25-12-6-4-5-11(9-12)17(24)22-18-20-15(10-16(23)21-18)13-7-2-3-8-14(13)19/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyYGRAIPPZDDLBGU-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.18
Rot. Bonds3

About N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide

N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide (PubChem CID 15988387) has the molecular formula C18H16FN3O3 and a molecular weight of 341.34 g/mol. Its IUPAC name is N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide
PubChem CID15988387
Molecular FormulaC18H16FN3O3
Molecular Weight341.34 g/mol
Exact Mass341.12
IUPAC NameN-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide
SMILESCOc1cccc(C(=O)NC2=NC(c3ccccc3F)CC(=O)N2)c1
InChIInChI=1S/C18H16FN3O3/c1-25-12-6-4-5-11(9-12)17(24)22-18-20-15(10-16(23)21-18)13-7-2-3-8-14(13)19/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24)
InChIKeyYGRAIPPZDDLBGU-UHFFFAOYSA-N
XLogP2.18
TPSA79.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide?
The IUPAC name of N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide (CID 15988387) is N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide.
What is the SMILES notation for N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide?
The canonical SMILES for N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide is COc1cccc(C(=O)NC2=NC(c3ccccc3F)CC(=O)N2)c1.
What is the InChIKey of N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide?
The InChIKey is YGRAIPPZDDLBGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3/c1-25-12-6-4-5-11(9-12)17(24)22-18-20-15(10-16(23)21-18)13-7-2-3-8-14(13)19/h2-9,15H,10H2,1H3,(H2,20,21,22,23,24).
What are the key properties of N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide?
N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide has a molecular weight of 341.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-fluorophenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-methoxybenzamide is sourced from PubChem (CID 15988387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).