N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide

C15H18F3N3O2 — CID 96549749

IUPACN-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1
InChIInChI=1S/C15H18F3N3O2/c1-2-13(22)20-11-5-3-10(4-6-11)19-12-7-8-21(14(12)23)9-15(16,17)18/h3-6,12,19H,2,7-9H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyQXDNJCKNAAGPRZ-GFCCVEGCSA-N
MW329.32 g/mol
LogP2.61
Rot. Bonds5

About N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide

N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide (PubChem CID 96549749) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide
PubChem CID96549749
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC NameN-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1
InChIInChI=1S/C15H18F3N3O2/c1-2-13(22)20-11-5-3-10(4-6-11)19-12-7-8-21(14(12)23)9-15(16,17)18/h3-6,12,19H,2,7-9H2,1H3,(H,20,22)/t12-/m1/s1
InChIKeyQXDNJCKNAAGPRZ-GFCCVEGCSA-N
XLogP2.61
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[4-(1,2,4-triazol-1-yl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96567950
(3R)-3-(3-methylsulfonylanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96567767
7-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 95980194
2-methyl-6-[[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]benzamide
CID 71923583
(3S)-3-[3-methyl-4-(tetrazol-1-yl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 96567944
3-(3,5-dimethoxyanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one;(Z)-1-fluoroprop-1-ene
CID 176696160
2-(2-methoxyethylamino)-N-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]acetamide
CID 119784835
3-(2-ethoxy-4-fluoroanilino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 71975576
3-[2-chloro-5-(hydroxymethyl)anilino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 111336445
3-[(6-chloropyrazin-2-yl)amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 133311164
N-[4-(cyclohexylamino)phenyl]propanamide
CID 43720651
N-[4-(cyclooctylamino)phenyl]propanamide
CID 43720606

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide?
The IUPAC name of N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide (CID 96549749) is N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide is CCC(=O)Nc1ccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)cc1.
What is the InChIKey of N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide?
The InChIKey is QXDNJCKNAAGPRZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-2-13(22)20-11-5-3-10(4-6-11)19-12-7-8-21(14(12)23)9-15(16,17)18/h3-6,12,19H,2,7-9H2,1H3,(H,20,22)/t12-/m1/s1.
What are the key properties of N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide?
N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide has a molecular weight of 329.32 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(3R)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]amino]phenyl]propanamide is sourced from PubChem (CID 96549749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).