1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea

C12H18F3N3O2 — CID 143353955

IUPAC1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESCC1CCCN1C(=O)CNC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3O2/c1-8-3-2-6-18(8)9(19)7-16-10(20)17-11(4-5-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,20)
InChIKeyAHEWCEXTCDXJIU-UHFFFAOYSA-N
MW293.29 g/mol
LogP1.39
Rot. Bonds3

About 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea

1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea (PubChem CID 143353955) has the molecular formula C12H18F3N3O2 and a molecular weight of 293.29 g/mol. Its IUPAC name is 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea.

Molecular Properties

Compound Name1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
PubChem CID143353955
Molecular FormulaC12H18F3N3O2
Molecular Weight293.29 g/mol
Exact Mass293.14
IUPAC Name1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea
SMILESCC1CCCN1C(=O)CNC(=O)NC1(C(F)(F)F)CC1
InChIInChI=1S/C12H18F3N3O2/c1-8-3-2-6-18(8)9(19)7-16-10(20)17-11(4-5-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,20)
InChIKeyAHEWCEXTCDXJIU-UHFFFAOYSA-N
XLogP1.39
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]propanamide
CID 145388256
1-(2-methylpiperidin-1-yl)-2-(2,2,2-trifluoroethylamino)ethanone
CID 78914825
1-(2-tert-butylsulfinylcyclohexyl)-3-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]urea
CID 143105646
tert-butyl N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]carbamate;ethane;formic acid
CID 143037682
2-(methylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 24702742
2-(tert-butylamino)-1-(2-methylpiperidin-1-yl)ethanone
CID 78987116
N-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 141274805
1-[2-[[5-(dimethylsulfamoylamino)-1-bicyclo[3.2.1]octanyl]amino]acetyl]-2-methylpyrrolidine
CID 123780268
2-amino-1-(2-methylpiperidin-1-yl)ethanone
CID 24708863
1-cyclopropyl-3-[1-(trifluoromethyl)cyclopropyl]urea
CID 106211177
2-[3-fluoro-5-(trifluoromethyl)anilino]-1-[(2R)-2-methylpyrrolidin-1-yl]ethanone
CID 143897284
1-[2-[(1-ethylcyclohexyl)carbamoylamino]acetyl]-N-(2-oxopropyl)pyrrolidine-2-carboxamide
CID 143025390

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
The IUPAC name of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea (CID 143353955) is 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea.
What is the SMILES notation for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
The canonical SMILES for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea is CC1CCCN1C(=O)CNC(=O)NC1(C(F)(F)F)CC1.
What is the InChIKey of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
The InChIKey is AHEWCEXTCDXJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2/c1-8-3-2-6-18(8)9(19)7-16-10(20)17-11(4-5-11)12(13,14)15/h8H,2-7H2,1H3,(H2,16,17,20).
What are the key properties of 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea?
1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea has a molecular weight of 293.29 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpyrrolidin-1-yl)-2-oxoethyl]-3-[1-(trifluoromethyl)cyclopropyl]urea is sourced from PubChem (CID 143353955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).