1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

C19H18F3N3O3 — CID 16819774

IUPAC1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1cccc(N2CC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)c1
InChIInChI=1S/C19H18F3N3O3/c1-28-16-4-2-3-15(10-16)25-11-14(9-17(25)26)24-18(27)23-13-7-5-12(6-8-13)19(20,21)22/h2-8,10,14H,9,11H2,1H3,(H2,23,24,27)
InChIKeyASJHOVSZOJQYPT-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.64
Rot. Bonds4

About 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea

1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (PubChem CID 16819774) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.

Molecular Properties

Compound Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
PubChem CID16819774
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
SMILESCOc1cccc(N2CC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)c1
InChIInChI=1S/C19H18F3N3O3/c1-28-16-4-2-3-15(10-16)25-11-14(9-17(25)26)24-18(27)23-13-7-5-12(6-8-13)19(20,21)22/h2-8,10,14H,9,11H2,1H3,(H2,23,24,27)
InChIKeyASJHOVSZOJQYPT-UHFFFAOYSA-N
XLogP3.64
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544338
1-[1-(3,4-dimethoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43970689
1-(3,4-dimethoxyphenyl)-3-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 18564233
1-(3-methoxyphenyl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 46635658
1-(3-fluorophenyl)-3-[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544332
1-(3,4-dimethylphenyl)-3-[(3S)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]urea
CID 7544500
N-[3-[[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 18564245
N-[3-[[(3R)-1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]carbamoylamino]phenyl]acetamide
CID 7544617
1-[1-(3,4-dimethylphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 43969606
1-(3-methoxyphenyl)-3-[(3S)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513464
1-(4-methoxyphenyl)-3-[(3R)-5-oxo-1-phenylpyrrolidin-3-yl]urea
CID 7513465
1-[(3S)-1-(4-fluorophenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea
CID 7548209

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The IUPAC name of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea (CID 16819774) is 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea.
What is the SMILES notation for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The canonical SMILES for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is COc1cccc(N2CC(NC(=O)Nc3ccc(C(F)(F)F)cc3)CC2=O)c1.
What is the InChIKey of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
The InChIKey is ASJHOVSZOJQYPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-28-16-4-2-3-15(10-16)25-11-14(9-17(25)26)24-18(27)23-13-7-5-12(6-8-13)19(20,21)22/h2-8,10,14H,9,11H2,1H3,(H2,23,24,27).
What are the key properties of 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea?
1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea has a molecular weight of 393.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]urea is sourced from PubChem (CID 16819774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).