N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride

C13H16ClF3N2O — CID 175666321

IUPACN-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NC[C@H]1CCCN1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-6-2-1-5-10(11)12(19)18-8-9-4-3-7-17-9;/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1H/t9-;/m1./s1
InChIKeyLOHQSYIMLLWJFO-SBSPUUFOSA-N
MW308.73 g/mol
LogP2.61
Rot. Bonds3

About N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride

N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 175666321) has the molecular formula C13H16ClF3N2O and a molecular weight of 308.73 g/mol. Its IUPAC name is N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID175666321
Molecular FormulaC13H16ClF3N2O
Molecular Weight308.73 g/mol
Exact Mass308.09
IUPAC NameN-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NC[C@H]1CCCN1)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-6-2-1-5-10(11)12(19)18-8-9-4-3-7-17-9;/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1H/t9-;/m1./s1
InChIKeyLOHQSYIMLLWJFO-SBSPUUFOSA-N
XLogP2.61
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.73
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 120943463
2-(azepan-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanone
CID 79539404
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
N-(2-piperidin-3-ylethyl)-2-(trifluoromethyl)benzamide
CID 60895336
2-(2-fluorophenyl)-2-methyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119512158
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
N-[[(3R)-thiolan-3-yl]methyl]-2-(trifluoromethyl)benzamide
CID 129479833
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)benzamide
CID 71304903

Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride (CID 175666321) is N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NC[C@H]1CCCN1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is LOHQSYIMLLWJFO-SBSPUUFOSA-N. The full InChI is InChI=1S/C13H15F3N2O.ClH/c14-13(15,16)11-6-2-1-5-10(11)12(19)18-8-9-4-3-7-17-9;/h1-2,5-6,9,17H,3-4,7-8H2,(H,18,19);1H/t9-;/m1./s1.
What are the key properties of N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 308.73 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 175666321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).