1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea

C18H20FN3O3 — CID 95289565

IUPAC1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C18H20FN3O3/c19-13-3-5-14(6-4-13)20-18(24)21-15-9-10-22(12-15)17(23)8-7-16-2-1-11-25-16/h1-6,11,15H,7-10,12H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyNTWXTIHJBIMIKY-OAHLLOKOSA-N
MW345.37 g/mol
LogP2.77
Rot. Bonds5

About 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea

1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea (PubChem CID 95289565) has the molecular formula C18H20FN3O3 and a molecular weight of 345.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
PubChem CID95289565
Molecular FormulaC18H20FN3O3
Molecular Weight345.37 g/mol
Exact Mass345.15
IUPAC Name1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea
SMILESO=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCc2ccco2)C1
InChIInChI=1S/C18H20FN3O3/c19-13-3-5-14(6-4-13)20-18(24)21-15-9-10-22(12-15)17(23)8-7-16-2-1-11-25-16/h1-6,11,15H,7-10,12H2,(H2,20,21,24)/t15-/m1/s1
InChIKeyNTWXTIHJBIMIKY-OAHLLOKOSA-N
XLogP2.77
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(2-aminophenyl)propanoyl]piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 120609351
3-(furan-2-yl)-1-[4-(methylamino)piperidin-1-yl]propan-1-one
CID 54923480
1-[3-(aminomethyl)pyrrolidin-1-yl]-3-(furan-2-yl)propan-1-one
CID 62062665
1-[(3R)-1-(cyclopentanecarbonyl)pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 95302516
1-[1-(4-aminobutanoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea;hydrochloride
CID 119295427
1-[1-(2-aminobenzoyl)piperidin-4-yl]-3-(4-fluorophenyl)urea
CID 119944747
1-(4-fluorophenyl)-3-[1-(piperidine-4-carbonyl)pyrrolidin-3-yl]urea
CID 119310459
1-[(3R)-1-[3-[(4R)-1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 177250754
1-(4-fluorophenyl)-3-[(3R)-1-(2-methylbenzoyl)pyrrolidin-3-yl]urea
CID 95288232
1-(4-fluorophenyl)-3-[1-[2-(methylamino)acetyl]piperidin-4-yl]urea
CID 119734443
1-(3-ethyl-4-hydroxypiperidin-1-yl)-3-(furan-2-yl)propan-1-one
CID 114509981
1-[1-[(2S)-2-amino-3-phenylpropanoyl]pyrrolidin-3-yl]-3-(4-fluorophenyl)urea
CID 119310461

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea?
The IUPAC name of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea (CID 95289565) is 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea.
What is the SMILES notation for 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea?
The canonical SMILES for 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea is O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)CCc2ccco2)C1.
What is the InChIKey of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea?
The InChIKey is NTWXTIHJBIMIKY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20FN3O3/c19-13-3-5-14(6-4-13)20-18(24)21-15-9-10-22(12-15)17(23)8-7-16-2-1-11-25-16/h1-6,11,15H,7-10,12H2,(H2,20,21,24)/t15-/m1/s1.
What are the key properties of 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea?
1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea has a molecular weight of 345.37 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-3-[(3R)-1-[3-(furan-2-yl)propanoyl]pyrrolidin-3-yl]urea is sourced from PubChem (CID 95289565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).