2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide

C16H22FN3O3 — CID 95158538

IUPAC2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H22FN3O3/c17-13-5-3-12(4-6-13)10-15(21)18-7-8-19-16(22)20-11-14-2-1-9-23-14/h3-6,14H,1-2,7-11H2,(H,18,21)(H2,19,20,22)/t14-/m0/s1
InChIKeyJPJRMCGADALIHE-AWEZNQCLSA-N
MW323.37 g/mol
LogP0.96
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide

2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide (PubChem CID 95158538) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide
PubChem CID95158538
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Name2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)NCCNC(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C16H22FN3O3/c17-13-5-3-12(4-6-13)10-15(21)18-7-8-19-16(22)20-11-14-2-1-9-23-14/h3-6,14H,1-2,7-11H2,(H,18,21)(H2,19,20,22)/t14-/m0/s1
InChIKeyJPJRMCGADALIHE-AWEZNQCLSA-N
XLogP0.96
TPSA79.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.96
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

2-(4-fluorophenyl)-N-[2-[[N'-(oxolan-2-ylmethyl)carbamimidoyl]amino]ethyl]acetamide
CID 110916851
4-fluoro-N-(oxolan-2-ylmethyl)benzamide
CID 531952
2-(4-fluorophenyl)-N-[4-(oxolan-2-ylmethylamino)phenyl]acetamide
CID 112981193
1-[2-(4-bromophenyl)ethyl]-3-(oxolan-2-ylmethyl)urea
CID 108902262
2-(4-methylphenyl)-N-[2-oxo-2-(oxolan-2-ylmethylamino)ethyl]acetamide
CID 112991346
2-[2-(4-fluorophenyl)ethylamino]-N-(oxolan-2-ylmethyl)pyrimidine-5-carboxamide
CID 109252355
1-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 94177635
2-[2-[(4-fluorophenyl)methylsulfanyl]-1,3-thiazol-4-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16899812
1-[[(2R)-oxolan-2-yl]methyl]-3-[[4-(sulfamoylmethyl)phenyl]methyl]urea
CID 95135685
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
6-[(4-fluorophenyl)methylamino]-N-[[(2R)-oxolan-2-yl]methyl]pyridin-1-ium-3-carboxamide
CID 7382822
2-[(4-fluorophenyl)methyl-(2,2,2-trifluoroethyl)amino]-N-(oxolan-2-ylmethyl)acetamide
CID 127266916

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide (CID 95158538) is 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide is O=C(Cc1ccc(F)cc1)NCCNC(=O)NC[C@@H]1CCCO1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide?
The InChIKey is JPJRMCGADALIHE-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H22FN3O3/c17-13-5-3-12(4-6-13)10-15(21)18-7-8-19-16(22)20-11-14-2-1-9-23-14/h3-6,14H,1-2,7-11H2,(H,18,21)(H2,19,20,22)/t14-/m0/s1.
What are the key properties of 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide?
2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide has a molecular weight of 323.37 g/mol, XLogP of 0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[2-[[(2S)-oxolan-2-yl]methylcarbamoylamino]ethyl]acetamide is sourced from PubChem (CID 95158538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).