3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C18H26ClF3N2O2 — CID 119809477

IUPAC3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(C)Oc1ccc(CNC(=O)C2CCC(N)C2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H25F3N2O2.ClH/c1-17(2,3)25-14-7-5-12(15(9-14)18(19,20)21)10-23-16(24)11-4-6-13(22)8-11;/h5,7,9,11,13H,4,6,8,10,22H2,1-3H3,(H,23,24);1H
InChIKeyXLCPFFRTBMXZHB-UHFFFAOYSA-N
MW394.87 g/mol
LogP4.05
Rot. Bonds4

About 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119809477) has the molecular formula C18H26ClF3N2O2 and a molecular weight of 394.87 g/mol. Its IUPAC name is 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119809477
Molecular FormulaC18H26ClF3N2O2
Molecular Weight394.87 g/mol
Exact Mass394.16
IUPAC Name3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)(C)Oc1ccc(CNC(=O)C2CCC(N)C2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C18H25F3N2O2.ClH/c1-17(2,3)25-14-7-5-12(15(9-14)18(19,20)21)10-23-16(24)11-4-6-13(22)8-11;/h5,7,9,11,13H,4,6,8,10,22H2,1-3H3,(H,23,24);1H
InChIKeyXLCPFFRTBMXZHB-UHFFFAOYSA-N
XLogP4.05
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119705493
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 66010679
3-amino-N-[[4-methyl-2-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119811167
N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]morpholine-2-carboxamide;hydrochloride
CID 119809493
3-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119705497
1-(2-hydroxyethyl)-3-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]urea
CID 111474109
3-amino-N-[(4-bromo-2-methylphenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119780965
N-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]cyclopropanecarboxamide
CID 67195679
3-amino-N-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119712572
acetylene;cis-(1S,3R)-3-amino-N-[[3,5-bis(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;propane
CID 143080625
2-(cyclopropylmethylamino)-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]acetamide;hydrochloride
CID 119767143
3-amino-N-[(2-chlorophenyl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119673508

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119809477) is 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is CC(C)(C)Oc1ccc(CNC(=O)C2CCC(N)C2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is XLCPFFRTBMXZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O2.ClH/c1-17(2,3)25-14-7-5-12(15(9-14)18(19,20)21)10-23-16(24)11-4-6-13(22)8-11;/h5,7,9,11,13H,4,6,8,10,22H2,1-3H3,(H,23,24);1H.
What are the key properties of 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 394.87 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[[4-[(2-methylpropan-2-yl)oxy]-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119809477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).