N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide

C17H17F2N4O3P — CID 167020175

IUPACN-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCP(C)(=O)c1ncncc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1F
InChIInChI=1S/C17H17F2N4O3P/c1-27(2,26)16-11(7-20-8-21-16)10-3-4-13(15(19)14(10)18)23-6-5-12(17(23)25)22-9-24/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,24)
InChIKeyFPQMVNILKDIKIK-UHFFFAOYSA-N
MW394.32 g/mol
LogP1.52
Rot. Bonds5

About N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide

N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide (PubChem CID 167020175) has the molecular formula C17H17F2N4O3P and a molecular weight of 394.32 g/mol. Its IUPAC name is N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
PubChem CID167020175
Molecular FormulaC17H17F2N4O3P
Molecular Weight394.32 g/mol
Exact Mass394.10
IUPAC NameN-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCP(C)(=O)c1ncncc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1F
InChIInChI=1S/C17H17F2N4O3P/c1-27(2,26)16-11(7-20-8-21-16)10-3-4-13(15(19)14(10)18)23-6-5-12(17(23)25)22-9-24/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,24)
InChIKeyFPQMVNILKDIKIK-UHFFFAOYSA-N
XLogP1.52
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883357
1-[(3R)-1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]urea
CID 139455094
1-[4-(2-dimethylphosphoryl-3-pyridinyl)-2,3-difluorophenyl]-3-(methylamino)pyrrolidin-2-one
CID 166883510
N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883397
N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883464
(3R)-3-amino-1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]pyrrolidin-2-one
CID 139450980
3-(ethylamino)-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 54972958
N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883400
N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide
CID 139474435
1-[1-[4-(2-dimethylphosphoryl-3-fluorophenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]-3-[2-fluoro-4-(trifluoromethyl)phenyl]urea
CID 167019957
N-[1-[4-[2-(dimethylamino)-3-pyridinyl]-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]butanamide
CID 139474750
[1-[4-(2-dimethylphosphorylphenyl)-3-fluoro-2-(trifluoromethyl)phenyl]-2-oxopyrrolidin-3-yl]carbamic acid
CID 139451019

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide (CID 167020175) is N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide is CP(C)(=O)c1ncncc1-c1ccc(N2CCC(NC=O)C2=O)c(F)c1F.
What is the InChIKey of N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
The InChIKey is FPQMVNILKDIKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N4O3P/c1-27(2,26)16-11(7-20-8-21-16)10-3-4-13(15(19)14(10)18)23-6-5-12(17(23)25)22-9-24/h3-4,7-9,12H,5-6H2,1-2H3,(H,22,24).
What are the key properties of N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide?
N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide has a molecular weight of 394.32 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide is sourced from PubChem (CID 167020175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).