3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide

C15H16FN3O4 — CID 75432855

IUPAC3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2[nH]c(=O)ncc2F)cc1OC
InChIInChI=1S/C15H16FN3O4/c1-22-11-5-3-9(7-12(11)23-2)4-6-13(20)18-14-10(16)8-17-15(21)19-14/h3,5,7-8H,4,6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyYULADFGCXHVQPZ-UHFFFAOYSA-N
MW321.31 g/mol
LogP1.50
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide

3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide (PubChem CID 75432855) has the molecular formula C15H16FN3O4 and a molecular weight of 321.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide
PubChem CID75432855
Molecular FormulaC15H16FN3O4
Molecular Weight321.31 g/mol
Exact Mass321.11
IUPAC Name3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2[nH]c(=O)ncc2F)cc1OC
InChIInChI=1S/C15H16FN3O4/c1-22-11-5-3-9(7-12(11)23-2)4-6-13(20)18-14-10(16)8-17-15(21)19-14/h3,5,7-8H,4,6H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyYULADFGCXHVQPZ-UHFFFAOYSA-N
XLogP1.50
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-bromo-5-fluoro-2-pyridinyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 110495803
3-(3,4-dimethoxyphenyl)-N-[6-(4-fluoroanilino)pyridazin-3-yl]propanamide
CID 113047289
3-(3,4-dimethoxyphenyl)-N-(3-fluoro-4-methylphenyl)propanamide
CID 9215674
N-(3,4-dichlorophenyl)-3-(3,4-dimethoxyphenyl)propanamide
CID 8759873
3-(3,4-dimethoxyphenyl)-N-(2-hydroxyphenyl)propanamide
CID 12822107
3-(3,4-dimethoxyphenyl)-N-(2-methoxy-5-methylphenyl)propanamide
CID 2684730
3-(3,4-dimethoxyphenyl)-N-(2,6-dimethylphenyl)propanamide
CID 19220644
3-(4-chlorophenyl)-N-(3,4-dimethoxyphenyl)propanamide
CID 19220838
N-[6-(tert-butylamino)pyridazin-3-yl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113044288
3-(3,4-dimethoxyphenyl)-N-[6-(propan-2-ylamino)pyridazin-3-yl]propanamide
CID 113037967
N-[2-(2,6-difluoroanilino)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113002282
N-[6-(tert-butylamino)-3-pyridinyl]-3-(3,4-dimethoxyphenyl)propanamide
CID 113014809

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide (CID 75432855) is 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide is COc1ccc(CCC(=O)Nc2[nH]c(=O)ncc2F)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide?
The InChIKey is YULADFGCXHVQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O4/c1-22-11-5-3-9(7-12(11)23-2)4-6-13(20)18-14-10(16)8-17-15(21)19-14/h3,5,7-8H,4,6H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide?
3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide has a molecular weight of 321.31 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-(5-fluoro-2-oxo-1H-pyrimidin-6-yl)propanamide is sourced from PubChem (CID 75432855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).