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

C16H22FN3O2 — CID 4204381

IUPACN-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H22FN3O2/c1-3-12(2)18-15(21)11-20-9-8-19(16(20)22)10-13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyORTJIHAJVCZHJQ-UHFFFAOYSA-N
MW307.37 g/mol
LogP1.98
Rot. Bonds6

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

N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (PubChem CID 4204381) has the molecular formula C16H22FN3O2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
PubChem CID4204381
Molecular FormulaC16H22FN3O2
Molecular Weight307.37 g/mol
Exact Mass307.17
IUPAC NameN-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide
SMILESCCC(C)NC(=O)CN1CCN(Cc2ccccc2F)C1=O
InChIInChI=1S/C16H22FN3O2/c1-3-12(2)18-15(21)11-20-9-8-19(16(20)22)10-13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,21)
InChIKeyORTJIHAJVCZHJQ-UHFFFAOYSA-N
XLogP1.98
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 ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-Benzylimidazolidine-2,4,5-trione
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Acetamide, N-benzyl-2-(1-pyrrolidinyl)-, hydrochloride
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1-Benzylimidazolidin-2-one
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(2S)-1-[(3R)-3-amino-4-(2-fluorophenyl)butanoyl]-N-benzylpyrrolidine-2-carboxamide
CID 10178009
Smac peptido-mimetic 1
CID 11200722
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
N-Benzyl-3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-propionamide
CID 11645337
(R)-N-Benzyl-2-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 155213164
1-Pyrrolidineacetamide, N-[(2-fluorophenyl)methyl]-|A-methyl-2,5-dioxo-, (|AR)-
CID 155213179

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The IUPAC name of N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide (CID 4204381) is N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The canonical SMILES for N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is CCC(C)NC(=O)CN1CCN(Cc2ccccc2F)C1=O.
What is the InChIKey of N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
The InChIKey is ORTJIHAJVCZHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O2/c1-3-12(2)18-15(21)11-20-9-8-19(16(20)22)10-13-6-4-5-7-14(13)17/h4-7,12H,3,8-11H2,1-2H3,(H,18,21).
What are the key properties of N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide?
N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide has a molecular weight of 307.37 g/mol, XLogP of 1.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-[3-[(2-fluorophenyl)methyl]-2-oxoimidazolidin-1-yl]acetamide is sourced from PubChem (CID 4204381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).