1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea

C15H20FN3O2 — CID 75434018

IUPAC1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
SMILESCNC(=O)NCC(=O)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C15H20FN3O2/c1-17-15(21)18-10-14(20)19-7-3-6-13(19)9-11-4-2-5-12(16)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18,21)
InChIKeyHNUMIYWIHPAYHY-UHFFFAOYSA-N
MW293.34 g/mol
LogP1.29
Rot. Bonds4

About 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea

1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea (PubChem CID 75434018) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea.

Molecular Properties

Compound Name1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
PubChem CID75434018
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea
SMILESCNC(=O)NCC(=O)N1CCCC1Cc1cccc(F)c1
InChIInChI=1S/C15H20FN3O2/c1-17-15(21)18-10-14(20)19-7-3-6-13(19)9-11-4-2-5-12(16)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18,21)
InChIKeyHNUMIYWIHPAYHY-UHFFFAOYSA-N
XLogP1.29
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(Phenylmethyl)-2,4-imidazolidinedione
CID 73565
2,4-Imidazolidinedione, 3-(phenylmethyl)-
CID 231959
(5S)-5-benzylimidazolidine-2,4-dione
CID 703698
(2S)-1-{2-[(2-phenylethyl)amino]acetyl}pyrrolidine-2-carbonitrile
CID 11076103
1-[(2-Fluorophenyl)methyl]imidazolidine-2,4,5-trione
CID 2767579
3-Benzyl-2,5-dioxo-4,4-dimethylimidazolidine
CID 4601988
(5R)-1-[(3R)-3-amino-4-(2,5-difluorophenyl)butanoyl]-5-methylimidazolidin-4-one
CID 23646442
(2S,3S)-3-(4-fluorophenyl)-1-[(3S)-3-fluoropyrrolidin-1-yl]-1-oxobutan-2-aminium; 2,2,2-trifluoroacetate
CID 91895801
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713
N-cyclopentyl-2-[3-(2-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4204383
N-cyclopentyl-2-[3-(4-fluorobenzyl)-2-oxoimidazolidin-1-yl]acetamide
CID 4205522
2-[4-ethyl-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 5034100

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?
The IUPAC name of 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea (CID 75434018) is 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea.
What is the SMILES notation for 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?
The canonical SMILES for 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea is CNC(=O)NCC(=O)N1CCCC1Cc1cccc(F)c1.
What is the InChIKey of 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?
The InChIKey is HNUMIYWIHPAYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-17-15(21)18-10-14(20)19-7-3-6-13(19)9-11-4-2-5-12(16)8-11/h2,4-5,8,13H,3,6-7,9-10H2,1H3,(H2,17,18,21).
What are the key properties of 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea?
1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea has a molecular weight of 293.34 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-2-oxoethyl]-3-methylurea is sourced from PubChem (CID 75434018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).