3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C14H18ClF3N2O — CID 119705493

IUPAC3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)12-4-2-1-3-10(12)8-19-13(20)9-5-6-11(18)7-9;/h1-4,9,11H,5-8,18H2,(H,19,20);1H
InChIKeyDULYWGWTPFFCBX-UHFFFAOYSA-N
MW322.76 g/mol
LogP2.87
Rot. Bonds3

About 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119705493) has the molecular formula C14H18ClF3N2O and a molecular weight of 322.76 g/mol. Its IUPAC name is 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119705493
Molecular FormulaC14H18ClF3N2O
Molecular Weight322.76 g/mol
Exact Mass322.11
IUPAC Name3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCl.NC1CCC(C(=O)NCc2ccccc2C(F)(F)F)C1
InChIInChI=1S/C14H17F3N2O.ClH/c15-14(16,17)12-4-2-1-3-10(12)8-19-13(20)9-5-6-11(18)7-9;/h1-4,9,11H,5-8,18H2,(H,19,20);1H
InChIKeyDULYWGWTPFFCBX-UHFFFAOYSA-N
XLogP2.87
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.76
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508
3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119809477
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 66010662
3-amino-N-[(2-cyclobutyloxyphenyl)methyl]cyclopentane-1-carboxamide
CID 119796168
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
tert-butyl-[4-[[2-(trifluoromethyl)phenyl]methylcarbamoyl]cyclohexyl]carbamic acid
CID 67331195
3-amino-N-[(2-ethylphenyl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119798267
cis-(1S,3R)-3-amino-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 77091258
(2S)-N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-2-carboxamide;hydrochloride
CID 119705503
3-amino-N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopentane-1-carboxamide
CID 119901656

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119705493) is 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is Cl.NC1CCC(C(=O)NCc2ccccc2C(F)(F)F)C1.
What is the InChIKey of 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is DULYWGWTPFFCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O.ClH/c15-14(16,17)12-4-2-1-3-10(12)8-19-13(20)9-5-6-11(18)7-9;/h1-4,9,11H,5-8,18H2,(H,19,20);1H.
What are the key properties of 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 322.76 g/mol, XLogP of 2.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119705493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).