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

C14H16F3N3O2 — CID 122569454

IUPAC1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCNC1=O
InChIInChI=1S/C14H16F3N3O2/c1-20(13(22)19-11-5-6-18-12(11)21)8-9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11H,5-6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyHGTYISOXIFZOBJ-UHFFFAOYSA-N
MW315.30 g/mol
LogP1.74
Rot. Bonds3

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

1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea (PubChem CID 122569454) has the molecular formula C14H16F3N3O2 and a molecular weight of 315.30 g/mol. Its IUPAC name is 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea.

Molecular Properties

Compound Name1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
PubChem CID122569454
Molecular FormulaC14H16F3N3O2
Molecular Weight315.30 g/mol
Exact Mass315.12
IUPAC Name1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
SMILESCN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCNC1=O
InChIInChI=1S/C14H16F3N3O2/c1-20(13(22)19-11-5-6-18-12(11)21)8-9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11H,5-6,8H2,1H3,(H,18,21)(H,19,22)
InChIKeyHGTYISOXIFZOBJ-UHFFFAOYSA-N
XLogP1.74
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.30
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-methyl-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide
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1-[(4-fluorophenyl)methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 51274161
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CID 43199156
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1-methyl-3-(1H-pyrazol-4-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 47071993
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119737517
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CID 97202795
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyridazine-4-carboxamide
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1-methyl-3-(1,2-oxazol-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 167858306
N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]hydroxylamine
CID 105456998
1-[[4-(dimethylamino)phenyl]methyl]-1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]urea
CID 33253657
N-[2-(dimethylamino)ethyl]-N-[[3-(trifluoromethyl)phenyl]methyl]pyrazolidine-3-carboxamide
CID 75613825

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The IUPAC name of 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea (CID 122569454) is 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea.
What is the SMILES notation for 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The canonical SMILES for 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea is CN(Cc1cccc(C(F)(F)F)c1)C(=O)NC1CCNC1=O.
What is the InChIKey of 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
The InChIKey is HGTYISOXIFZOBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2/c1-20(13(22)19-11-5-6-18-12(11)21)8-9-3-2-4-10(7-9)14(15,16)17/h2-4,7,11H,5-6,8H2,1H3,(H,18,21)(H,19,22).
What are the key properties of 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea?
1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea has a molecular weight of 315.30 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(2-oxopyrrolidin-3-yl)-1-[[3-(trifluoromethyl)phenyl]methyl]urea is sourced from PubChem (CID 122569454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).