2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

C16H22F3N3O2 — CID 2098901

IUPAC2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN1CCC[C@@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O2/c1-2-22-9-3-4-13(22)10-20-11-15(23)21-12-5-7-14(8-6-12)24-16(17,18)19/h5-8,13,20H,2-4,9-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyVHZCEHVYTHWFHP-CYBMUJFWSA-N
MW345.37 g/mol
LogP2.60
Rot. Bonds7

About 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide

2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 2098901) has the molecular formula C16H22F3N3O2 and a molecular weight of 345.37 g/mol. Its IUPAC name is 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID2098901
Molecular FormulaC16H22F3N3O2
Molecular Weight345.37 g/mol
Exact Mass345.17
IUPAC Name2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
SMILESCCN1CCC[C@@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H22F3N3O2/c1-2-22-9-3-4-13(22)10-20-11-15(23)21-12-5-7-14(8-6-12)24-16(17,18)19/h5-8,13,20H,2-4,9-11H2,1H3,(H,21,23)/t13-/m1/s1
InChIKeyVHZCEHVYTHWFHP-CYBMUJFWSA-N
XLogP2.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957
1-(1-ethylpyrrolidin-2-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]methanamine
CID 43081448
2-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 95347315
2-(oxolan-2-ylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 119672849
N-[(1-ethylpyrrolidin-2-yl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 55376416
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-(2-methylphenyl)acetamide
CID 43180059
2-[(1-ethylpiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111803487
N-[2-[(1-ethylpyrrolidin-2-yl)methylamino]-4-methylquinolin-6-yl]-2-[4-(trifluoromethoxy)phenoxy]acetamide;methanesulfonic acid
CID 11563382
N-[4-[[[(2S)-1-ethylpyrrolidin-2-yl]methylamino]methyl]phenyl]acetamide
CID 51637876
2-[(1-ethylpyrrolidin-2-yl)methylamino]-N-methylacetamide
CID 43180041
N'-(4-ethoxyphenyl)-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]oxamide
CID 7255910
N'-(4-ethoxyphenyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]oxamide
CID 3156748

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide (CID 2098901) is 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is CCN1CCC[C@@H]1CNCC(=O)Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is VHZCEHVYTHWFHP-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22F3N3O2/c1-2-22-9-3-4-13(22)10-20-11-15(23)21-12-5-7-14(8-6-12)24-16(17,18)19/h5-8,13,20H,2-4,9-11H2,1H3,(H,21,23)/t13-/m1/s1.
What are the key properties of 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide?
2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 345.37 g/mol, XLogP of 2.60, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1-ethylpyrrolidin-2-yl]methylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 2098901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).