2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

C16H21F3N2O — CID 11602095

IUPAC2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C16H21F3N2O/c1-11(2)15(22)21(13-7-8-20-9-13)10-12-5-3-4-6-14(12)16(17,18)19/h3-6,11,13,20H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyFYDXJUSDGLWNFV-ZDUSSCGKSA-N
MW314.35 g/mol
LogP3.05
Rot. Bonds4

About 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide

2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (PubChem CID 11602095) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
PubChem CID11602095
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC Name2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
SMILESCC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1
InChIInChI=1S/C16H21F3N2O/c1-11(2)15(22)21(13-7-8-20-9-13)10-12-5-3-4-6-14(12)16(17,18)19/h3-6,11,13,20H,7-10H2,1-2H3/t13-/m0/s1
InChIKeyFYDXJUSDGLWNFV-ZDUSSCGKSA-N
XLogP3.05
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-N-(cyclobutylmethyl)-N-(pyrrolidin-3-yl)-2-(trifluoromethyl)benzamide
CID 44517677
Smac peptido-mimetic 1
CID 11200722
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(1-phenylpropyl)propionamide
CID 11580945
(2S)-2-Amino-2-cyclohexyl-1-(1,3-dihydro-2H-isoindol-2-YL)ethanone
CID 17751406
Ksp-IA
CID 24901494
N-Methyl-N-((S)-1-phenyl-2-pyrrolidin-1-yl-ethyl)-2-(2-trifluoromethyl-phenyl)-acetamide
CID 10410240
2-(Diethylamino)-N-(1-phenylethyl)ethanimidic acid
CID 209462
3-[2-(2-cyano-(S)-pyrrolidin-1-yl)-2-oxoethylamino]-N-(2-methyl-1-phenylpropyl)propionamide
CID 11703158
(2S)-N-(cyanomethyl)-4-methyl-2-{[(1S)-2,2,2-trifluoro-1-phenylethyl]amino}pentanamide
CID 23648299
L-valyl-L-proline benzylamide
CID 11645153
Ac-N(Bn)Gly-Val-Pro-Val-CF3
CID 73351831
N-benzyl-N'-[(1-ethylpyrrolidin-2-yl)methyl]ethanediamide
CID 3156713

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The IUPAC name of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide (CID 11602095) is 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The canonical SMILES for 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is CC(C)C(=O)N(Cc1ccccc1C(F)(F)F)[C@H]1CCNC1.
What is the InChIKey of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
The InChIKey is FYDXJUSDGLWNFV-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H21F3N2O/c1-11(2)15(22)21(13-7-8-20-9-13)10-12-5-3-4-6-14(12)16(17,18)19/h3-6,11,13,20H,7-10H2,1-2H3/t13-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide?
2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide has a molecular weight of 314.35 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-pyrrolidin-3-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 11602095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).