2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide

C16H22FN3O2 — CID 87049850

IUPAC2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H22FN3O2/c1-12(2)9-18-15(21)11-20-8-7-19(16(20)22)10-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,18,21)
InChIKeyVQTTWKVFXLNGHQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.84
Rot. Bonds6

About 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide

2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide (PubChem CID 87049850) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
PubChem CID87049850
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide
SMILESCC(C)CNC(=O)CN1CCN(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H22FN3O2/c1-12(2)9-18-15(21)11-20-8-7-19(16(20)22)10-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,18,21)
InChIKeyVQTTWKVFXLNGHQ-UHFFFAOYSA-N
XLogP1.84
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-[(4-fluorophenyl)methyl]acetamide
CID 4287057
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 15999968
2-[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]-N-(2-methylpropyl)acetamide
CID 30673207
N-[2-(cyclohexen-1-yl)ethyl]-2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 15997244
2-(3-benzyl-2-oxoimidazolidin-1-yl)-N-butan-2-ylacetamide
CID 3628343
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide
CID 6621641
1-[(4-fluorophenyl)methyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 762838
N-(3-methylbutyl)-2-[3-[(3-methylphenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
CID 4095945
2-[3-[(2-chloro-4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-propylacetamide
CID 87049831
2-[3-[(2-chlorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(3-methylbutyl)acetamide
CID 3466261
3-(4-fluorophenyl)-2-methyl-N-(2-methylpropyl)propanamide
CID 48846361
4-[(4-fluorophenyl)methyl]-1-propan-2-yl-1,4-diazepan-5-one
CID 26334076

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide (CID 87049850) is 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide is CC(C)CNC(=O)CN1CCN(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
The InChIKey is VQTTWKVFXLNGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-12(2)9-18-15(21)11-20-8-7-19(16(20)22)10-13-3-5-14(17)6-4-13/h3-6,12H,7-11H2,1-2H3,(H,18,21).
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide?
2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 87049850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).