2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride

C14H20Cl2F3N3O — CID 119830300

IUPAC2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C14H18F3N3O.2ClH/c1-18-9-13(21)19-11-8-10(14(15,16)17)4-5-12(11)20-6-2-3-7-20;;/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,21);2*1H
InChIKeyYTKUXSUDWNNFSV-UHFFFAOYSA-N
MW374.23 g/mol
LogP3.31
Rot. Bonds4

About 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride

2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride (PubChem CID 119830300) has the molecular formula C14H20Cl2F3N3O and a molecular weight of 374.23 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride.

Molecular Properties

Compound Name2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
PubChem CID119830300
Molecular FormulaC14H20Cl2F3N3O
Molecular Weight374.23 g/mol
Exact Mass373.09
IUPAC Name2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
SMILESCNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1.Cl.Cl
InChIInChI=1S/C14H18F3N3O.2ClH/c1-18-9-13(21)19-11-8-10(14(15,16)17)4-5-12(11)20-6-2-3-7-20;;/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,21);2*1H
InChIKeyYTKUXSUDWNNFSV-UHFFFAOYSA-N
XLogP3.31
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.23
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828236
methyl 4-oxo-4-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]butanoate
CID 108808751
2-(4-aminophenyl)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride
CID 119828224
2-(4-acetamidophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 16561278
N-(5-fluoro-2-methylphenyl)-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]acetamide
CID 24615057
2-(4-tert-butylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 3632029
2-(2-methylphenoxy)-N-[2-piperidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 1396653
2-(3-fluorophenyl)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 55380507
[2-oxo-2-[2-pyrrolidin-1-yl-5-(trifluoromethyl)anilino]ethyl] 4-oxopentanoate
CID 9199101
N-[2-(4-methylpiperazin-1-yl)-5-(trifluoromethyl)phenyl]propanamide
CID 698325
2-(2-methoxyphenoxy)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide
CID 7581490
trans-[2-oxo-2-[2-piperidin-1-yl-5-(trifluoromethyl)anilino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 9230652

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The IUPAC name of 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride (CID 119830300) is 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride.
What is the SMILES notation for 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The canonical SMILES for 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride is CNCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1.Cl.Cl.
What is the InChIKey of 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
The InChIKey is YTKUXSUDWNNFSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O.2ClH/c1-18-9-13(21)19-11-8-10(14(15,16)17)4-5-12(11)20-6-2-3-7-20;;/h4-5,8,18H,2-3,6-7,9H2,1H3,(H,19,21);2*1H.
What are the key properties of 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride?
2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride has a molecular weight of 374.23 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide;dihydrochloride is sourced from PubChem (CID 119830300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).