1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one

C14H18FN3O3 — CID 47056965

IUPAC1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CCOc1cccc(F)c1)CC(=O)N1CCNC1=O
InChIInChI=1S/C14H18FN3O3/c1-17(10-13(19)18-6-5-16-14(18)20)7-8-21-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,20)
InChIKeyMFSKHLUWGCJQEM-UHFFFAOYSA-N
MW295.31 g/mol
LogP0.69
Rot. Bonds6

About 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one

1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one (PubChem CID 47056965) has the molecular formula C14H18FN3O3 and a molecular weight of 295.31 g/mol. Its IUPAC name is 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one
PubChem CID47056965
Molecular FormulaC14H18FN3O3
Molecular Weight295.31 g/mol
Exact Mass295.13
IUPAC Name1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one
SMILESCN(CCOc1cccc(F)c1)CC(=O)N1CCNC1=O
InChIInChI=1S/C14H18FN3O3/c1-17(10-13(19)18-6-5-16-14(18)20)7-8-21-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,20)
InChIKeyMFSKHLUWGCJQEM-UHFFFAOYSA-N
XLogP0.69
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.31
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[2-(3-methylphenoxy)ethyl]amino]-1-piperazin-1-ylethanone
CID 61018285
2-[2-(3-chlorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915397
2-[2-(3-bromophenoxy)ethyl-methylamino]-1-pyrrolidin-1-ylethanone
CID 60697432
2-[2-(3-fluorophenoxy)ethyl-methylamino]propanamide
CID 47286834
2-[2-(3-bromo-5-fluorophenoxy)ethyl-methylamino]-1-piperazin-1-ylethanone
CID 120965945
1-(aminomethyl)-N-[2-(3-fluorophenoxy)ethyl]-N-methylcyclobutane-1-carboxamide
CID 115448098
4-[[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]amino]-N,N-dimethylbenzamide
CID 55841289
3-(3-fluorophenoxy)-1-piperidin-1-ylpropan-1-one
CID 60739345
2-[2-(4-fluorophenoxy)ethyl-methylamino]-1-[4-(4-fluorophenyl)piperazin-1-yl]ethanone
CID 55431470
1-[(1R,8S)-4-azatricyclo[4.3.1.13,8]undecan-4-yl]-3-(3-fluorophenoxy)propan-1-one
CID 95163577
2-[2-(4-fluorophenoxy)ethyl-methylamino]-N,N-dimethylacetamide
CID 51073531
2-(cyclopropylamino)-N-[2-(3-fluorophenoxy)ethyl]-N-methylacetamide
CID 54872660

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one (CID 47056965) is 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one is CN(CCOc1cccc(F)c1)CC(=O)N1CCNC1=O.
What is the InChIKey of 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one?
The InChIKey is MFSKHLUWGCJQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O3/c1-17(10-13(19)18-6-5-16-14(18)20)7-8-21-12-4-2-3-11(15)9-12/h2-4,9H,5-8,10H2,1H3,(H,16,20).
What are the key properties of 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one?
1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one has a molecular weight of 295.31 g/mol, XLogP of 0.69, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(3-fluorophenoxy)ethyl-methylamino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 47056965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).