N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride

C26H28ClF3N2O2 — CID 11849472

IUPACN-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
SMILESC[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C26H27F3N2O2.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29;/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32);1H/t17-,23+,24+;/m1./s1
InChIKeyDUVWTKJNMGYCBL-GRFVZBLOSA-N
MW492.97 g/mol
LogP6.55
Rot. Bonds6

About N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride

N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride (PubChem CID 11849472) has the molecular formula C26H28ClF3N2O2 and a molecular weight of 492.97 g/mol. Its IUPAC name is N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
PubChem CID11849472
Molecular FormulaC26H28ClF3N2O2
Molecular Weight492.97 g/mol
Exact Mass492.18
IUPAC NameN-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
SMILESC[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12.Cl
InChIInChI=1S/C26H27F3N2O2.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29;/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32);1H/t17-,23+,24+;/m1./s1
InChIKeyDUVWTKJNMGYCBL-GRFVZBLOSA-N
XLogP6.55
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.97
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride with MolForge

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Related Compounds

N-[(1R,2R)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride
CID 11849381
[2-(1-naphthalen-1-ylethylamino)cyclohexyl]methanol
CID 103729780
N-[(2S)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-4-(trifluoromethyl)benzenesulfonamide
CID 58779401
N-cyclohexyl-4-(trifluoromethoxy)benzamide
CID 53243010
(2S)-1-N-[(2-chlorophenyl)methyl]-2-N-(1-naphthalen-1-ylethyl)cyclohexane-1,2-diamine;dihydrochloride
CID 158375573
2-[[(1R)-1-naphthalen-1-ylethyl]amino]-N,N-bis[[4-(trifluoromethoxy)phenyl]methyl]acetamide
CID 89022612
N-[(1R,2R)-2-(1-naphthalen-1-ylethylamino)cyclohexyl]-3-(trifluoromethyl)benzenesulfonamide
CID 11849343
N-[(2-methylpropan-2-yl)oxy]-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 59617218
N-(1-naphthalen-1-ylethyl)cyclopropanamine
CID 16775384
molecular hydrogen;N-[(1R)-1-naphthalen-1-ylethyl]cyclohexanamine
CID 143807841
2-benzyl-3-[[(1R)-1-naphthalen-1-ylethyl]amino]piperidine-1-carboxylic acid
CID 67409796
N-methyl-4-[(1S,3S)-3-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]benzamide
CID 141396256

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride?
The IUPAC name of N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride (CID 11849472) is N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride.
What is the SMILES notation for N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride?
The canonical SMILES for N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride is C[C@@H](N[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccc2ccccc12.Cl.
What is the InChIKey of N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride?
The InChIKey is DUVWTKJNMGYCBL-GRFVZBLOSA-N. The full InChI is InChI=1S/C26H27F3N2O2.ClH/c1-17(21-10-6-8-18-7-2-3-9-22(18)21)30-23-11-4-5-12-24(23)31-25(32)19-13-15-20(16-14-19)33-26(27,28)29;/h2-3,6-10,13-17,23-24,30H,4-5,11-12H2,1H3,(H,31,32);1H/t17-,23+,24+;/m1./s1.
What are the key properties of N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride?
N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride has a molecular weight of 492.97 g/mol, XLogP of 6.55, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S)-2-[[(1R)-1-naphthalen-1-ylethyl]amino]cyclohexyl]-4-(trifluoromethoxy)benzamide;hydrochloride is sourced from PubChem (CID 11849472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).