N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide

C15H15F2N3O3 — CID 31351368

IUPACN-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H15F2N3O3/c1-9(10-3-4-11(16)12(17)7-10)19(2)14(22)8-20-6-5-13(21)18-15(20)23/h3-7,9H,8H2,1-2H3,(H,18,21,23)/t9-/m1/s1
InChIKeyNTZARRVOBAELNS-SECBINFHSA-N
MW323.30 g/mol
LogP1.03
Rot. Bonds4

About N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide

N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide (PubChem CID 31351368) has the molecular formula C15H15F2N3O3 and a molecular weight of 323.30 g/mol. Its IUPAC name is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
PubChem CID31351368
Molecular FormulaC15H15F2N3O3
Molecular Weight323.30 g/mol
Exact Mass323.11
IUPAC NameN-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide
SMILESC[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O
InChIInChI=1S/C15H15F2N3O3/c1-9(10-3-4-11(16)12(17)7-10)19(2)14(22)8-20-6-5-13(21)18-15(20)23/h3-7,9H,8H2,1-2H3,(H,18,21,23)/t9-/m1/s1
InChIKeyNTZARRVOBAELNS-SECBINFHSA-N
XLogP1.03
TPSA75.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.30
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dioxopyrimidin-1-yl)-N-methyl-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 34500280
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-[3-[(R)-methylsulfinyl]-1,2,4-triazol-4-yl]acetamide
CID 95979846
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 97245763
N-[1-(3,4-difluorophenyl)ethyl]-2-[4-(4-fluorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-methylacetamide
CID 134024782
1-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 119906682
N-[1-(3,4-difluorophenyl)ethyl]-N-methylhexanamide
CID 86918334
N-butan-2-yl-2-[4-[2-[1-(3,4-difluorophenyl)ethyl-methylamino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 78898037
N-[1-(3,4-difluorophenyl)ethyl]-N-methyl-2-(2-methylpropylsulfonyl)acetamide
CID 86993538
tert-butyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 63788322
2-hydroxyethyl N-[1-(3,4-difluorophenyl)ethyl]-N-methylcarbamate
CID 79345147
N-[(2,4-difluorophenyl)methyl]-N-[2-(dimethylamino)ethyl]-2-(2,4-dioxopyrimidin-1-yl)acetamide
CID 60598705
N-[1-(3,4-difluorophenyl)ethyl]-2,2,2-trifluoro-N-methylacetamide
CID 62732806

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The IUPAC name of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide (CID 31351368) is N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide is C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
The InChIKey is NTZARRVOBAELNS-SECBINFHSA-N. The full InChI is InChI=1S/C15H15F2N3O3/c1-9(10-3-4-11(16)12(17)7-10)19(2)14(22)8-20-6-5-13(21)18-15(20)23/h3-7,9H,8H2,1-2H3,(H,18,21,23)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide?
N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide has a molecular weight of 323.30 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-(2,4-dioxopyrimidin-1-yl)-N-methylacetamide is sourced from PubChem (CID 31351368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).