1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

C16H20F3N3O3 — CID 47749828

IUPAC1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C16H20F3N3O3/c1-2-25-13-6-5-11(16(17,18)19)9-12(13)21-15(24)20-10-14(23)22-7-3-4-8-22/h5-6,9H,2-4,7-8,10H2,1H3,(H2,20,21,24)
InChIKeyTZYUZMXIWXIPTL-UHFFFAOYSA-N
MW359.35 g/mol
LogP2.85
Rot. Bonds5

About 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea

1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (PubChem CID 47749828) has the molecular formula C16H20F3N3O3 and a molecular weight of 359.35 g/mol. Its IUPAC name is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.

Molecular Properties

Compound Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
PubChem CID47749828
Molecular FormulaC16H20F3N3O3
Molecular Weight359.35 g/mol
Exact Mass359.15
IUPAC Name1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
SMILESCCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)N1CCCC1
InChIInChI=1S/C16H20F3N3O3/c1-2-25-13-6-5-11(16(17,18)19)9-12(13)21-15(24)20-10-14(23)22-7-3-4-8-22/h5-6,9H,2-4,7-8,10H2,1H3,(H2,20,21,24)
InChIKeyTZYUZMXIWXIPTL-UHFFFAOYSA-N
XLogP2.85
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.35
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[2-ethoxy-5-(trifluoromethyl)phenyl]carbamoylamino]-N-(2-methylpropyl)acetamide
CID 49280392
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-propan-2-ylurea
CID 60586531
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(4-hydroxy-2,2-dimethylbutyl)urea
CID 111474249
(3R)-N-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-hydroxypyrrolidine-1-carboxamide
CID 111431517
1-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 60586475
2-chloro-N-[2-ethoxy-5-(trifluoromethyl)phenyl]acetamide
CID 698335
4-[2-[2-ethoxy-5-(trifluoromethyl)anilino]acetyl]piperazin-2-one
CID 60587676
1-[(1-cyclopropyl-5-oxopyrrolidin-3-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 118775141
2-(2,5-diethoxyanilino)-1-pyrrolidin-1-ylethanone
CID 28573510
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]urea
CID 97435717
1-[(3-amino-1H-1,2,4-triazol-5-yl)methyl]-3-[2-ethoxy-5-(trifluoromethyl)phenyl]urea
CID 118766107
1-(3-methylpiperidin-1-yl)-2-[2-propoxy-5-(trifluoromethyl)anilino]ethanone
CID 55437070

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The IUPAC name of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea (CID 47749828) is 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea.
What is the SMILES notation for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The canonical SMILES for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is CCOc1ccc(C(F)(F)F)cc1NC(=O)NCC(=O)N1CCCC1.
What is the InChIKey of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
The InChIKey is TZYUZMXIWXIPTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N3O3/c1-2-25-13-6-5-11(16(17,18)19)9-12(13)21-15(24)20-10-14(23)22-7-3-4-8-22/h5-6,9H,2-4,7-8,10H2,1H3,(H2,20,21,24).
What are the key properties of 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea?
1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea has a molecular weight of 359.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethoxy-5-(trifluoromethyl)phenyl]-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea is sourced from PubChem (CID 47749828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).