N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide

C16H16F3N3O3 — CID 166411468

IUPACN-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H16F3N3O3/c1-2-13(23)20-9-14(24)21-12-7-8-22(15(12)25)11-5-3-10(4-6-11)16(17,18)19/h2-6,12H,1,7-9H2,(H,20,23)(H,21,24)
InChIKeyFHAKUGCYAIUULV-UHFFFAOYSA-N
MW355.32 g/mol
LogP1.23
Rot. Bonds5

About N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide

N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide (PubChem CID 166411468) has the molecular formula C16H16F3N3O3 and a molecular weight of 355.32 g/mol. Its IUPAC name is N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide.

Molecular Properties

Compound NameN-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
PubChem CID166411468
Molecular FormulaC16H16F3N3O3
Molecular Weight355.32 g/mol
Exact Mass355.11
IUPAC NameN-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide
SMILESC=CC(=O)NCC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)C1=O
InChIInChI=1S/C16H16F3N3O3/c1-2-13(23)20-9-14(24)21-12-7-8-22(15(12)25)11-5-3-10(4-6-11)16(17,18)19/h2-6,12H,1,7-9H2,(H,20,23)(H,21,24)
InChIKeyFHAKUGCYAIUULV-UHFFFAOYSA-N
XLogP1.23
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.32
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-1-[4-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 154498751
N-[2-[[1-(2,4-dichlorophenyl)-2-oxopiperidin-3-yl]amino]-2-oxoethyl]prop-2-enamide
CID 166412320
N-[1-(4-fluorophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 71839103
N-[1-(4-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(cyclopropylmethylamino)acetamide
CID 119798470
(3S)-4,4,4-trifluoro-3-hydroxy-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260330
(3R)-4,4,4-trifluoro-3-hydroxy-N-[(3R)-2-oxo-1-phenylpyrrolidin-3-yl]-3-phenylbutanamide
CID 97260329
2-[(1S,2S)-2-(1H-benzimidazol-2-yl)cyclopropyl]-N-[(3R)-2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]acetamide
CID 142403424
N-[[4-[4-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzoxazin-2-yl]methyl]prop-2-enamide
CID 172543060
N-[[(6R)-4-[4-(trifluoromethyl)phenyl]-6,7-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]prop-2-enamide
CID 175945464
N-[[(3S)-1-[4-(trifluoromethyl)phenyl]-3,4-dihydro-2H-quinolin-3-yl]methyl]prop-2-enamide
CID 170679886
N-[1-(3,5-dimethoxyphenyl)-2-oxopyrrolidin-3-yl]prop-2-enamide
CID 166406195
N-[(3S)-1-(4-iodophenyl)-2-oxopyrrolidin-3-yl]-3,3-dimethylbutanamide
CID 70340142

Frequently Asked Questions

What is the IUPAC name of N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide?
The IUPAC name of N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide (CID 166411468) is N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide.
What is the SMILES notation for N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide?
The canonical SMILES for N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide is C=CC(=O)NCC(=O)NC1CCN(c2ccc(C(F)(F)F)cc2)C1=O.
What is the InChIKey of N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide?
The InChIKey is FHAKUGCYAIUULV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O3/c1-2-13(23)20-9-14(24)21-12-7-8-22(15(12)25)11-5-3-10(4-6-11)16(17,18)19/h2-6,12H,1,7-9H2,(H,20,23)(H,21,24).
What are the key properties of N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide?
N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide has a molecular weight of 355.32 g/mol, XLogP of 1.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-oxo-2-[[2-oxo-1-[4-(trifluoromethyl)phenyl]pyrrolidin-3-yl]amino]ethyl]prop-2-enamide is sourced from PubChem (CID 166411468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).