N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

C16H17F2N3O3 — CID 51101630

IUPACN-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O3/c1-9-13(15(23)21-16(24)20-9)2-3-14(22)19-5-4-10-6-11(17)8-12(18)7-10/h6-8H,2-5H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyBOOLBUGWMDHOAP-UHFFFAOYSA-N
MW337.33 g/mol
LogP0.94
Rot. Bonds6

About N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide

N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 51101630) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
PubChem CID51101630
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC NameN-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
SMILESCc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1cc(F)cc(F)c1
InChIInChI=1S/C16H17F2N3O3/c1-9-13(15(23)21-16(24)20-9)2-3-14(22)19-5-4-10-6-11(17)8-12(18)7-10/h6-8H,2-5H2,1H3,(H,19,22)(H2,20,21,23,24)
InChIKeyBOOLBUGWMDHOAP-UHFFFAOYSA-N
XLogP0.94
TPSA94.82 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 50.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-(2-phenylethyl)propanamide
CID 30865434
N-benzyl-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 30865391
N-(3,3-difluoro-2-hydroxypropyl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 103769787
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]propanamide
CID 55720354
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004753
N-[[4-(dimethylsulfamoyl)phenyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057970
N-[2-(3,5-difluorophenyl)ethyl]-2-ethoxyacetamide
CID 62295850
N-(3-methylbutan-2-yl)-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 42930049
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331560
3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 110331644
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057541
N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The IUPAC name of N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide (CID 51101630) is N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide.
What is the SMILES notation for N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The canonical SMILES for N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)NCCc1cc(F)cc(F)c1.
What is the InChIKey of N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
The InChIKey is BOOLBUGWMDHOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-9-13(15(23)21-16(24)20-9)2-3-14(22)19-5-4-10-6-11(17)8-12(18)7-10/h6-8H,2-5H2,1H3,(H,19,22)(H2,20,21,23,24).
What are the key properties of N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide?
N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 337.33 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-difluorophenyl)ethyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 51101630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).