1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea

C23H24F3N3O3 — CID 166231289

IUPAC1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(COCC(F)(F)F)c1)NC1CC(=O)N(C2CC2c2ccccc2)C1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)14-32-13-15-5-4-8-17(9-15)27-22(31)28-18-10-21(30)29(12-18)20-11-19(20)16-6-2-1-3-7-16/h1-9,18-20H,10-14H2,(H2,27,28,31)
InChIKeyRWYXWEOAZWVIIA-UHFFFAOYSA-N
MW447.46 g/mol
LogP4.04
Rot. Bonds7

About 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea

1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea (PubChem CID 166231289) has the molecular formula C23H24F3N3O3 and a molecular weight of 447.46 g/mol. Its IUPAC name is 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea.

Molecular Properties

Compound Name1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea
PubChem CID166231289
Molecular FormulaC23H24F3N3O3
Molecular Weight447.46 g/mol
Exact Mass447.18
IUPAC Name1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea
SMILESO=C(Nc1cccc(COCC(F)(F)F)c1)NC1CC(=O)N(C2CC2c2ccccc2)C1
InChIInChI=1S/C23H24F3N3O3/c24-23(25,26)14-32-13-15-5-4-8-17(9-15)27-22(31)28-18-10-21(30)29(12-18)20-11-19(20)16-6-2-1-3-7-16/h1-9,18-20H,10-14H2,(H2,27,28,31)
InChIKeyRWYXWEOAZWVIIA-UHFFFAOYSA-N
XLogP4.04
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.46
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]amino]methyl]benzoic acid
CID 122031637
1-(3-hydroxypropyl)-3-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]urea
CID 124507736
1-(1-phenylpiperidin-3-yl)-3-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]urea
CID 86960333
1-[(3S)-1-[(1S,2R)-2-methylcyclopropyl]-5-oxopyrrolidin-3-yl]-3-phenylurea
CID 99847107
1-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-phenylurea
CID 110747922
cis-(1S,2R)-2-(2-fluorophenyl)-N-[(3R)-5-oxo-1-[(1R,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]cyclopropane-1-carboxamide
CID 124865903
2-(2-nitrophenoxy)-N-[(3R)-5-oxo-1-[(1S,2R)-2-phenylcyclopropyl]pyrrolidin-3-yl]acetamide
CID 95782401
1-(3-methoxyphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513464
N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]pyrrolidine-2-carboxamide
CID 119342635
1-(3,4-dihydro-2H-chromen-3-yl)-3-[[3-(2,2,2-trifluoroethoxymethyl)phenyl]methyl]urea
CID 126781918
N-[3-[(5-oxo-1-phenylpyrrolidin-3-yl)carbamoylamino]phenyl]acetamide
CID 18564099
4-(aminomethyl)-N-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]oxane-4-carboxamide;hydrochloride
CID 120936806

Frequently Asked Questions

What is the IUPAC name of 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea?
The IUPAC name of 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea (CID 166231289) is 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea.
What is the SMILES notation for 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea?
The canonical SMILES for 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea is O=C(Nc1cccc(COCC(F)(F)F)c1)NC1CC(=O)N(C2CC2c2ccccc2)C1.
What is the InChIKey of 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea?
The InChIKey is RWYXWEOAZWVIIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O3/c24-23(25,26)14-32-13-15-5-4-8-17(9-15)27-22(31)28-18-10-21(30)29(12-18)20-11-19(20)16-6-2-1-3-7-16/h1-9,18-20H,10-14H2,(H2,27,28,31).
What are the key properties of 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea?
1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea has a molecular weight of 447.46 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-oxo-1-(2-phenylcyclopropyl)pyrrolidin-3-yl]-3-[3-(2,2,2-trifluoroethoxymethyl)phenyl]urea is sourced from PubChem (CID 166231289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).