(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride

C16H22ClF3N2O2 — CID 155940415

IUPAC(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@@H](C(=O)NCCc2cccc(C(F)(F)F)c2)CC[C@H]1O
InChIInChI=1S/C16H21F3N2O2.ClH/c17-16(18,19)12-3-1-2-10(8-12)6-7-21-15(23)11-4-5-14(22)13(20)9-11;/h1-3,8,11,13-14,22H,4-7,9,20H2,(H,21,23);1H/t11-,13+,14+;/m0./s1
InChIKeyPAZRXUIYTWTFQS-IRIHETDOSA-N
MW366.81 g/mol
LogP2.27
Rot. Bonds4

About (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride

(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride (PubChem CID 155940415) has the molecular formula C16H22ClF3N2O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride.

Molecular Properties

Compound Name(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
PubChem CID155940415
Molecular FormulaC16H22ClF3N2O2
Molecular Weight366.81 g/mol
Exact Mass366.13
IUPAC Name(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride
SMILESCl.N[C@@H]1C[C@@H](C(=O)NCCc2cccc(C(F)(F)F)c2)CC[C@H]1O
InChIInChI=1S/C16H21F3N2O2.ClH/c17-16(18,19)12-3-1-2-10(8-12)6-7-21-15(23)11-4-5-14(22)13(20)9-11;/h1-3,8,11,13-14,22H,4-7,9,20H2,(H,21,23);1H/t11-,13+,14+;/m0./s1
InChIKeyPAZRXUIYTWTFQS-IRIHETDOSA-N
XLogP2.27
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride with MolForge

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Related Compounds

cis-(1S,3R)-3-amino-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclopentane-1-carboxamide
CID 56918619
(3R,4R)-4-hydroxy-1-methyl-N-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 157016308
9-amino-N-[[3-(trifluoromethyl)phenyl]methyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120983719
3-amino-N-[2-[3-(trifluoromethyl)phenoxy]ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119736703
3-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]benzamide;hydrochloride
CID 119770305
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-(1H-pyrazol-4-yl)ethyl]cyclohexane-1-carboxamide;hydrochloride
CID 155939292
4-[3-[3-(trifluoromethyl)phenyl]propylamino]cyclohexane-1-carboxylic acid
CID 122030753
(2S,4S)-N-[2-(3-fluorophenyl)ethyl]-2-methylpiperidine-4-carboxamide;hydrochloride
CID 120618703
3-amino-N-[3-[3-(trifluoromethyl)phenyl]butyl]cyclopentane-1-carboxamide
CID 119814967
(1S,3R,4R)-4-amino-3-hydroxy-N-[[4-(trifluoromethyl)phenyl]methyl]cyclohexane-1-carboxamide;hydrochloride
CID 155940236
N-[3-oxo-3-[[3-(trifluoromethyl)phenyl]methylamino]propyl]cyclopentanecarboxamide
CID 46450428
4-amino-N-[2-(3-methylphenyl)ethyl]cyclohexane-1-carboxamide
CID 55062327

Frequently Asked Questions

What is the IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
The IUPAC name of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride (CID 155940415) is (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride.
What is the SMILES notation for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
The canonical SMILES for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride is Cl.N[C@@H]1C[C@@H](C(=O)NCCc2cccc(C(F)(F)F)c2)CC[C@H]1O.
What is the InChIKey of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
The InChIKey is PAZRXUIYTWTFQS-IRIHETDOSA-N. The full InChI is InChI=1S/C16H21F3N2O2.ClH/c17-16(18,19)12-3-1-2-10(8-12)6-7-21-15(23)11-4-5-14(22)13(20)9-11;/h1-3,8,11,13-14,22H,4-7,9,20H2,(H,21,23);1H/t11-,13+,14+;/m0./s1.
What are the key properties of (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride?
(1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride has a molecular weight of 366.81 g/mol, XLogP of 2.27, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R,4R)-3-amino-4-hydroxy-N-[2-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide;hydrochloride is sourced from PubChem (CID 155940415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).