N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide

C15H19FN4O3 — CID 18564403

IUPACN-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN4O3/c1-10(21)17-5-6-18-15(23)19-12-8-14(22)20(9-12)13-4-2-3-11(16)7-13/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,21)(H2,18,19,23)
InChIKeyIGCADMXHKXVRAD-UHFFFAOYSA-N
MW322.34 g/mol
LogP0.37
Rot. Bonds5

About N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide

N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide (PubChem CID 18564403) has the molecular formula C15H19FN4O3 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
PubChem CID18564403
Molecular FormulaC15H19FN4O3
Molecular Weight322.34 g/mol
Exact Mass322.14
IUPAC NameN-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide
SMILESCC(=O)NCCNC(=O)NC1CC(=O)N(c2cccc(F)c2)C1
InChIInChI=1S/C15H19FN4O3/c1-10(21)17-5-6-18-15(23)19-12-8-14(22)20(9-12)13-4-2-3-11(16)7-13/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,21)(H2,18,19,23)
InChIKeyIGCADMXHKXVRAD-UHFFFAOYSA-N
XLogP0.37
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546969
1-benzyl-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547224
N-[3-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 43970217
1-[3-(azepan-1-yl)propyl]-3-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547599
1-[2-(3,4-dimethoxyphenyl)ethyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7547252
2-chloro-N-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]acetamide
CID 7563337
1-cyclopentyl-3-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 43970168
N-[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 43971095
1-[(2R)-butan-2-yl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7546996
1-[(3R)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[2-(4-phenylpiperazin-1-ium-1-yl)ethyl]urea
CID 7162503
1-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-(furan-2-ylmethyl)urea
CID 7215524
1-[(2-chlorophenyl)methyl]-3-[(3S)-1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]urea
CID 7215500

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide?
The IUPAC name of N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide (CID 18564403) is N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide?
The canonical SMILES for N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide is CC(=O)NCCNC(=O)NC1CC(=O)N(c2cccc(F)c2)C1.
What is the InChIKey of N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide?
The InChIKey is IGCADMXHKXVRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O3/c1-10(21)17-5-6-18-15(23)19-12-8-14(22)20(9-12)13-4-2-3-11(16)7-13/h2-4,7,12H,5-6,8-9H2,1H3,(H,17,21)(H2,18,19,23).
What are the key properties of N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide?
N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide has a molecular weight of 322.34 g/mol, XLogP of 0.37, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-(3-fluorophenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]ethyl]acetamide is sourced from PubChem (CID 18564403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).