N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C15H15ClFN3O3 — CID 30865553

IUPACN-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O3/c1-8-10(14(22)20(2)15(23)18-8)4-6-13(21)19-9-3-5-12(17)11(16)7-9/h3,5,7H,4,6H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyWQBGVGBZYJNYHJ-UHFFFAOYSA-N
MW339.75 g/mol
LogP1.75
Rot. Bonds4

About N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 30865553) has the molecular formula C15H15ClFN3O3 and a molecular weight of 339.75 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID30865553
Molecular FormulaC15H15ClFN3O3
Molecular Weight339.75 g/mol
Exact Mass339.08
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H15ClFN3O3/c1-8-10(14(22)20(2)15(23)18-8)4-6-13(21)19-9-3-5-12(17)11(16)7-9/h3,5,7H,4,6H2,1-2H3,(H,18,23)(H,19,21)
InChIKeyWQBGVGBZYJNYHJ-UHFFFAOYSA-N
XLogP1.75
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.75
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(4-propan-2-ylphenyl)propanamide
CID 30865543
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(2R)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]propanamide
CID 30865597
2-[3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanoylamino]benzamide
CID 30865584
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(4-methylphenyl)methyl]propanamide
CID 30865476
N-(3-chloro-4-fluorophenyl)-3-(3,7-dimethyl-6-oxo-1-phenylpyrazolo[4,5-b]pyrazin-5-yl)propanamide
CID 20961129
N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339411
4-chloro-N-(3-chloro-4-fluorophenyl)butanamide
CID 3442191
4-amino-N-(3-chloro-4-fluorophenyl)butanamide
CID 22692197
N-(3-chloro-4-fluorophenyl)-4-(4-methylphenyl)-4-oxobutanamide
CID 20969055
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143620

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 30865553) is N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)n(C)c(=O)c1CCC(=O)Nc1ccc(F)c(Cl)c1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is WQBGVGBZYJNYHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClFN3O3/c1-8-10(14(22)20(2)15(23)18-8)4-6-13(21)19-9-3-5-12(17)11(16)7-9/h3,5,7H,4,6H2,1-2H3,(H,18,23)(H,19,21).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 339.75 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(3,6-dimethyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 30865553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).