N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide

C15H17FN4O4 — CID 94646293

IUPACN-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
SMILESO=C(CC[C@H]1NC(=O)NC1=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O4/c16-10-3-1-9(2-4-10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)/t11-/m1/s1
InChIKeyQTQWHCNPJHLQGW-LLVKDONJSA-N
MW336.32 g/mol
LogP-0.34
Rot. Bonds7

About N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide

N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide (PubChem CID 94646293) has the molecular formula C15H17FN4O4 and a molecular weight of 336.32 g/mol. Its IUPAC name is N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
PubChem CID94646293
Molecular FormulaC15H17FN4O4
Molecular Weight336.32 g/mol
Exact Mass336.12
IUPAC NameN-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide
SMILESO=C(CC[C@H]1NC(=O)NC1=O)NCCNC(=O)c1ccc(F)cc1
InChIInChI=1S/C15H17FN4O4/c16-10-3-1-9(2-4-10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)/t11-/m1/s1
InChIKeyQTQWHCNPJHLQGW-LLVKDONJSA-N
XLogP-0.34
TPSA116.40 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.32
LogP ≤ 5-0.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]benzamide
CID 97128970
N-[2-(3-aminopropanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299548
3-(2,5-dioxoimidazolidin-4-yl)-N-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 70708571
N-[2-(4-aminobutanoylamino)ethyl]-4-fluorobenzamide;hydrochloride
CID 119299566
3-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-(2-phenylsulfanylethyl)propanamide
CID 39969885
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-[(5Z)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]ethyl]propanamide
CID 42940731
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3-[(4S)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 131930236
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(2-methoxyphenyl)ethyl]propanamide
CID 75511825
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methylfuran-2-yl)ethyl]propanamide
CID 70720397
4-fluoro-N-[2-[3-[(2S)-1-methylpiperidin-2-yl]propanoylamino]ethyl]benzamide
CID 97201295
N-[2-(2,5-dioxoimidazolidin-4-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110722163
3-(2,5-dioxoimidazolidin-4-yl)-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 70723639

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide?
The IUPAC name of N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide (CID 94646293) is N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide.
What is the SMILES notation for N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide?
The canonical SMILES for N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide is O=C(CC[C@H]1NC(=O)NC1=O)NCCNC(=O)c1ccc(F)cc1.
What is the InChIKey of N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide?
The InChIKey is QTQWHCNPJHLQGW-LLVKDONJSA-N. The full InChI is InChI=1S/C15H17FN4O4/c16-10-3-1-9(2-4-10)13(22)18-8-7-17-12(21)6-5-11-14(23)20-15(24)19-11/h1-4,11H,5-8H2,(H,17,21)(H,18,22)(H2,19,20,23,24)/t11-/m1/s1.
What are the key properties of N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide?
N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide has a molecular weight of 336.32 g/mol, XLogP of -0.34, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4R)-2,5-dioxoimidazolidin-4-yl]propanoylamino]ethyl]-4-fluorobenzamide is sourced from PubChem (CID 94646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).