3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide

C16H20F3N3O2 — CID 124626431

IUPAC3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
SMILESC[C@H](NC(=O)CC(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H20F3N3O2/c1-11(20-14(23)10-16(17,18)19)15(24)21-12-5-4-6-13(9-12)22-7-2-3-8-22/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyRMYZGERZDZIEEC-NSHDSACASA-N
MW343.35 g/mol
LogP2.68
Rot. Bonds5

About 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide

3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide (PubChem CID 124626431) has the molecular formula C16H20F3N3O2 and a molecular weight of 343.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
PubChem CID124626431
Molecular FormulaC16H20F3N3O2
Molecular Weight343.35 g/mol
Exact Mass343.15
IUPAC Name3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide
SMILESC[C@H](NC(=O)CC(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1
InChIInChI=1S/C16H20F3N3O2/c1-11(20-14(23)10-16(17,18)19)15(24)21-12-5-4-6-13(9-12)22-7-2-3-8-22/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1
InChIKeyRMYZGERZDZIEEC-NSHDSACASA-N
XLogP2.68
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide with MolForge

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Related Compounds

2-[[2-(4-aminophenyl)acetyl]amino]-N-(3-pyrrolidin-1-ylphenyl)propanamide
CID 119872791
(2S)-2-amino-4-methyl-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]pentanamide
CID 119872849
2-methyl-N-(3-piperidin-1-ylphenyl)propanamide
CID 47379438
2-methyl-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]furan-3-carboxamide
CID 124591805
N-butan-2-yl-2-[(3-piperidin-1-ylphenyl)carbamoylamino]propanamide
CID 86862541
(2S)-2-amino-4-methyl-N-(3-pyrrolidin-1-ylphenyl)pentanamide
CID 61179793
5-methyl-N-[(2R)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 124591808
(3S)-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]oxolane-3-carboxamide
CID 124591800
4-amino-2-methyl-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 80542782
(2S)-2-amino-N-[3-(azepan-1-yl)phenyl]-4-methylpentanamide
CID 119892187
4-(methoxymethyl)-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]piperidine-4-carboxamide;dihydrochloride
CID 120645940
3-amino-N-[1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]cyclohexane-1-carboxamide;dihydrochloride
CID 119872800

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide?
The IUPAC name of 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide (CID 124626431) is 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide is C[C@H](NC(=O)CC(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1.
What is the InChIKey of 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide?
The InChIKey is RMYZGERZDZIEEC-NSHDSACASA-N. The full InChI is InChI=1S/C16H20F3N3O2/c1-11(20-14(23)10-16(17,18)19)15(24)21-12-5-4-6-13(9-12)22-7-2-3-8-22/h4-6,9,11H,2-3,7-8,10H2,1H3,(H,20,23)(H,21,24)/t11-/m0/s1.
What are the key properties of 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide?
3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide has a molecular weight of 343.35 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-[(2S)-1-oxo-1-(3-pyrrolidin-1-ylanilino)propan-2-yl]propanamide is sourced from PubChem (CID 124626431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).