1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

C17H24ClF3N2O2 — CID 119315076

IUPAC1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)C2(N)CCCC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-11(2)24-13-6-5-12(14(9-13)17(18,19)20)10-22-15(23)16(21)7-3-4-8-16;/h5-6,9,11H,3-4,7-8,10,21H2,1-2H3,(H,22,23);1H
InChIKeyUGEGAVSDJWGMDD-UHFFFAOYSA-N
MW380.84 g/mol
LogP3.80
Rot. Bonds5

About 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride

1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (PubChem CID 119315076) has the molecular formula C17H24ClF3N2O2 and a molecular weight of 380.84 g/mol. Its IUPAC name is 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
PubChem CID119315076
Molecular FormulaC17H24ClF3N2O2
Molecular Weight380.84 g/mol
Exact Mass380.15
IUPAC Name1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride
SMILESCC(C)Oc1ccc(CNC(=O)C2(N)CCCC2)c(C(F)(F)F)c1.Cl
InChIInChI=1S/C17H23F3N2O2.ClH/c1-11(2)24-13-6-5-12(14(9-13)17(18,19)20)10-22-15(23)16(21)7-3-4-8-16;/h5-6,9,11H,3-4,7-8,10,21H2,1-2H3,(H,22,23);1H
InChIKeyUGEGAVSDJWGMDD-UHFFFAOYSA-N
XLogP3.80
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.84
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

3-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide;hydrochloride
CID 119768894
2-amino-3-methoxy-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide
CID 120988650
N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119315072
2-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]pentanamide
CID 119315081
(2S)-2-amino-3-phenyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119315068
1-amino-N-[[2-(trifluoromethyl)phenyl]methyl]cyclobutane-1-carboxamide
CID 81169624
1,2-dimethyl-3-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 75493865
(2S)-2-amino-4-methylsulfanyl-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]butanamide
CID 119315071
(2S)-2-amino-N-[[4-methoxy-2-(trifluoromethyl)phenyl]methyl]propanamide;hydrochloride
CID 119313991
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]cyclohexane-1-carboxylic acid
CID 122030929
1-amino-N-[[2-(difluoromethoxy)-4-propoxyphenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119338922
1-amino-N-(4-propan-2-yloxyphenyl)cyclohexane-1-carboxamide;hydrochloride
CID 119280469

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The IUPAC name of 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride (CID 119315076) is 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride.
What is the SMILES notation for 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The canonical SMILES for 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is CC(C)Oc1ccc(CNC(=O)C2(N)CCCC2)c(C(F)(F)F)c1.Cl.
What is the InChIKey of 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
The InChIKey is UGEGAVSDJWGMDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23F3N2O2.ClH/c1-11(2)24-13-6-5-12(14(9-13)17(18,19)20)10-22-15(23)16(21)7-3-4-8-16;/h5-6,9,11H,3-4,7-8,10,21H2,1-2H3,(H,22,23);1H.
What are the key properties of 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride?
1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride has a molecular weight of 380.84 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methyl]cyclopentane-1-carboxamide;hydrochloride is sourced from PubChem (CID 119315076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).