N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide

C17H18F2N4O5 — CID 8888905

IUPACN-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C17H18F2N4O5/c1-9(2)7-22-15(26)16(27)23(17(22)28)8-14(25)20-6-13(24)21-10-3-4-11(18)12(19)5-10/h3-5,9H,6-8H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyQCVWHWHIBRKWSZ-UHFFFAOYSA-N
MW396.35 g/mol
LogP0.47
Rot. Bonds7

About N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide

N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide (PubChem CID 8888905) has the molecular formula C17H18F2N4O5 and a molecular weight of 396.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
PubChem CID8888905
Molecular FormulaC17H18F2N4O5
Molecular Weight396.35 g/mol
Exact Mass396.12
IUPAC NameN-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide
SMILESCC(C)CN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O
InChIInChI=1S/C17H18F2N4O5/c1-9(2)7-22-15(26)16(27)23(17(22)28)8-14(25)20-6-13(24)21-10-3-4-11(18)12(19)5-10/h3-5,9H,6-8H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyQCVWHWHIBRKWSZ-UHFFFAOYSA-N
XLogP0.47
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.35
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2574725
N-(4-fluorophenyl)-2-[[2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetyl]amino]acetamide
CID 8626634
1-[2-(3,4-difluorophenyl)-2-oxoethyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 7837485
N-[4-(dimethylamino)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574686
N-(2-fluorophenyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574811
N-[4-(4-methylphenoxy)phenyl]-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 7837528
N-(2-methylpropyl)-2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetamide
CID 2574518
N-(3,4-difluorophenyl)-2-[[2-(2,4-dioxo-1,3-diazaspiro[4.6]undecan-3-yl)acetyl]amino]acetamide
CID 9401939
methyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 47129041
N-(3,4-difluorophenyl)propanamide
CID 4285365
N-(3,4-difluorophenyl)-2-[[2-(4-methylphenyl)sulfanylacetyl]amino]acetamide
CID 27772603
ethyl N-[2-(3,4-difluoroanilino)-2-oxoethyl]carbamate
CID 113002353

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide (CID 8888905) is N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide is CC(C)CN1C(=O)C(=O)N(CC(=O)NCC(=O)Nc2ccc(F)c(F)c2)C1=O.
What is the InChIKey of N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide?
The InChIKey is QCVWHWHIBRKWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O5/c1-9(2)7-22-15(26)16(27)23(17(22)28)8-14(25)20-6-13(24)21-10-3-4-11(18)12(19)5-10/h3-5,9H,6-8H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide?
N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide has a molecular weight of 396.35 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-[[2-[3-(2-methylpropyl)-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]acetamide is sourced from PubChem (CID 8888905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).