2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

C15H17F3N4O3 — CID 55816777

IUPAC2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(N2CCCC2=O)cc1)NCC(F)(F)F
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)9-20-12(23)8-19-14(25)21-10-3-5-11(6-4-10)22-7-1-2-13(22)24/h3-6H,1-2,7-9H2,(H,20,23)(H2,19,21,25)
InChIKeyXVTDYLIKQNQVIV-UHFFFAOYSA-N
MW358.32 g/mol
LogP1.61
Rot. Bonds5

About 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide

2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 55816777) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID55816777
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CNC(=O)Nc1ccc(N2CCCC2=O)cc1)NCC(F)(F)F
InChIInChI=1S/C15H17F3N4O3/c16-15(17,18)9-20-12(23)8-19-14(25)21-10-3-5-11(6-4-10)22-7-1-2-13(22)24/h3-6H,1-2,7-9H2,(H,20,23)(H2,19,21,25)
InChIKeyXVTDYLIKQNQVIV-UHFFFAOYSA-N
XLogP1.61
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoroethyl N-[4-(2-oxopyrrolidin-1-yl)phenyl]carbamate
CID 65173490
N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8745955
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
2-fluoro-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]benzamide
CID 8746567
2-(4-fluorophenyl)sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 8747158
1-[(4-fluoro-3-methylphenyl)methyl]-3-[4-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 47032927
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-[3-(pyridin-3-ylamino)propyl]urea
CID 72909132
N-[4-(2-oxopyrrolidin-1-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8716542
2-naphthalen-1-yl-N-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]acetamide
CID 8747408
2-(4-fluorophenyl)-N-[4-(2-oxopiperidin-1-yl)phenyl]acetamide
CID 7687249
1-[4-(2-oxopyrrolidin-1-yl)phenyl]-3-propylthiourea
CID 8716486

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide (CID 55816777) is 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is O=C(CNC(=O)Nc1ccc(N2CCCC2=O)cc1)NCC(F)(F)F.
What is the InChIKey of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is XVTDYLIKQNQVIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c16-15(17,18)9-20-12(23)8-19-14(25)21-10-3-5-11(6-4-10)22-7-1-2-13(22)24/h3-6H,1-2,7-9H2,(H,20,23)(H2,19,21,25).
What are the key properties of 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide?
2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 358.32 g/mol, XLogP of 1.61, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-oxopyrrolidin-1-yl)phenyl]carbamoylamino]-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 55816777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).