1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea

C20H20F3N3O2 — CID 154839225

IUPAC1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-8-6-14(7-9-16)15-10-11-26(13-15)18(27)12-24-19(28)25-17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,24,25,28)
InChIKeyIXRCOPWGRVJMSO-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.84
Rot. Bonds4

About 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea

1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea (PubChem CID 154839225) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea.

Molecular Properties

Compound Name1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
PubChem CID154839225
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea
SMILESO=C(NCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-8-6-14(7-9-16)15-10-11-26(13-15)18(27)12-24-19(28)25-17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,24,25,28)
InChIKeyIXRCOPWGRVJMSO-UHFFFAOYSA-N
XLogP3.84
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-oxo-2-[3-(4-phenylpiperidin-1-yl)pyrrolidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 59764809
1-[2-(azepan-1-yl)-2-oxoethyl]-3-phenylurea
CID 24583495
1-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-3-phenylurea
CID 63105110
2-(phenylcarbamoylamino)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 770706
3,3,3-trifluoro-1-(3-phenylpyrrolidin-1-yl)propan-1-one
CID 126796221
N-[2-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-2-oxoethyl]-4-(trifluoromethyl)benzamide
CID 9295468
N-[2-[(3S)-3-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]benzamide
CID 95301942
2-(cyclopentylamino)-1-(3-phenylpyrrolidin-1-yl)ethanone
CID 62133775
(3R)-3-phenyl-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 51895142
1-(3-anilinopyrrolidin-1-yl)-3-[4-(trifluoromethyl)phenyl]butan-1-one
CID 56503062
2-[2-oxo-2-[4-[4-(trifluoromethyl)phenyl]piperidin-1-yl]ethyl]sulfanylacetic acid
CID 120551044
1-benzyl-3-[2-oxo-2-(4-phenylpiperidin-1-yl)ethyl]urea
CID 39581113

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea?
The IUPAC name of 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea (CID 154839225) is 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea.
What is the SMILES notation for 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea?
The canonical SMILES for 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea is O=C(NCC(=O)N1CCC(c2ccc(C(F)(F)F)cc2)C1)Nc1ccccc1.
What is the InChIKey of 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea?
The InChIKey is IXRCOPWGRVJMSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)16-8-6-14(7-9-16)15-10-11-26(13-15)18(27)12-24-19(28)25-17-4-2-1-3-5-17/h1-9,15H,10-13H2,(H2,24,25,28).
What are the key properties of 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea?
1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea has a molecular weight of 391.39 g/mol, XLogP of 3.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-[3-[4-(trifluoromethyl)phenyl]pyrrolidin-1-yl]ethyl]-3-phenylurea is sourced from PubChem (CID 154839225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).