1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea

C14H18F3N3O — CID 94800617

IUPAC1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCN1CCC[C@@H]1CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-20-8-4-5-10(20)9-18-13(21)19-12-7-3-2-6-11(12)14(15,16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,19,21)/t10-/m1/s1
InChIKeySIBZUCNIZVHYHT-SNVBAGLBSA-N
MW301.31 g/mol
LogP2.92
Rot. Bonds3

About 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea

1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea (PubChem CID 94800617) has the molecular formula C14H18F3N3O and a molecular weight of 301.31 g/mol. Its IUPAC name is 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
PubChem CID94800617
Molecular FormulaC14H18F3N3O
Molecular Weight301.31 g/mol
Exact Mass301.14
IUPAC Name1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
SMILESCN1CCC[C@@H]1CNC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C14H18F3N3O/c1-20-8-4-5-10(20)9-18-13(21)19-12-7-3-2-6-11(12)14(15,16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,19,21)/t10-/m1/s1
InChIKeySIBZUCNIZVHYHT-SNVBAGLBSA-N
XLogP2.92
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.31
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]pyridine-2-carboxylic acid
CID 106020866
3-methyl-4-[(1-methylpyrrolidin-2-yl)methylcarbamoylamino]benzoic acid
CID 106021097
1-[2-(1-methylpyrrolidin-2-yl)ethyl]-3-[2-(trifluoromethoxy)phenyl]urea
CID 72857196
1-[(3-hydroxycyclobutyl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 66004158
2-(1-methylpiperidin-3-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 110860768
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903
1-[[(6R)-4-methyl-1,4-oxazepan-6-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 125179623
1-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]urea
CID 52504194
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-(4-sulfamoylphenyl)urea
CID 95141083
1-[1-(2-methoxyethyl)piperidin-4-yl]-3-[2-(trifluoromethyl)phenyl]urea
CID 51093545
1-[(1-pyrazin-2-ylpiperidin-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 121109162
1-(2-ethylpiperidine-1-carbonyl)-N-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 108980069

Frequently Asked Questions

What is the IUPAC name of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea (CID 94800617) is 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea is CN1CCC[C@@H]1CNC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
The InChIKey is SIBZUCNIZVHYHT-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H18F3N3O/c1-20-8-4-5-10(20)9-18-13(21)19-12-7-3-2-6-11(12)14(15,16)17/h2-3,6-7,10H,4-5,8-9H2,1H3,(H2,18,19,21)/t10-/m1/s1.
What are the key properties of 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea?
1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea has a molecular weight of 301.31 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-3-[2-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 94800617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).