N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride

C13H16ClF3N2O2 — CID 120943463

IUPACN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)10-4-2-1-3-9(10)12(20)18-6-8-5-17-7-11(8)19;/h1-4,8,11,17,19H,5-7H2,(H,18,20);1H
InChIKeyFKMCNSIONKAHMI-UHFFFAOYSA-N
MW324.73 g/mol
LogP1.44
Rot. Bonds3

About N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride

N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride (PubChem CID 120943463) has the molecular formula C13H16ClF3N2O2 and a molecular weight of 324.73 g/mol. Its IUPAC name is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
PubChem CID120943463
Molecular FormulaC13H16ClF3N2O2
Molecular Weight324.73 g/mol
Exact Mass324.09
IUPAC NameN-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride
SMILESCl.O=C(NCC1CNCC1O)c1ccccc1C(F)(F)F
InChIInChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)10-4-2-1-3-9(10)12(20)18-6-8-5-17-7-11(8)19;/h1-4,8,11,17,19H,5-7H2,(H,18,20);1H
InChIKeyFKMCNSIONKAHMI-UHFFFAOYSA-N
XLogP1.44
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.73
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4-hydroxypyrrolidin-3-yl)methyl]-4-(trifluoromethyl)benzamide;hydrochloride
CID 120946998
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
4-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(trifluoromethyl)benzamide
CID 120947929
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenoxybenzamide
CID 120945515
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methylpyridine-3-carboxamide;dihydrochloride
CID 120944751
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
CID 120944494
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-phenylacetamide;hydrochloride
CID 120945888
2-[(2-fluorobenzoyl)amino]-N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-methylbenzamide;hydrochloride
CID 120945848
4-chloro-2-fluoro-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide;hydrochloride
CID 120945409
2-(cyclopropylmethoxy)-N-[(4-hydroxypyrrolidin-3-yl)methyl]benzamide
CID 120944904
2,2,2-trifluoro-N-[[(3S,4R)-4-hydroxypyrrolidin-3-yl]methyl]acetamide;hydrochloride
CID 87481313
2-chloro-N-[(4-hydroxypyrrolidin-3-yl)methyl]-5-iodobenzamide;hydrochloride
CID 120946362

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The IUPAC name of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride (CID 120943463) is N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride.
What is the SMILES notation for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The canonical SMILES for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride is Cl.O=C(NCC1CNCC1O)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
The InChIKey is FKMCNSIONKAHMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2.ClH/c14-13(15,16)10-4-2-1-3-9(10)12(20)18-6-8-5-17-7-11(8)19;/h1-4,8,11,17,19H,5-7H2,(H,18,20);1H.
What are the key properties of N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride?
N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride has a molecular weight of 324.73 g/mol, XLogP of 1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydroxypyrrolidin-3-yl)methyl]-2-(trifluoromethyl)benzamide;hydrochloride is sourced from PubChem (CID 120943463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).