2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride

C20H22ClF3N2O3 — CID 120790257

IUPAC2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C20H21F3N2O3.ClH/c21-20(22,23)16-3-1-2-4-17(16)28-15-7-5-14(6-8-15)25-19(26)18(24)13-9-11-27-12-10-13;/h1-8,13,18H,9-12,24H2,(H,25,26);1H
InChIKeyNTJSCWBMPKKBBL-UHFFFAOYSA-N
MW430.85 g/mol
LogP4.61
Rot. Bonds5

About 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride

2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride (PubChem CID 120790257) has the molecular formula C20H22ClF3N2O3 and a molecular weight of 430.85 g/mol. Its IUPAC name is 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
PubChem CID120790257
Molecular FormulaC20H22ClF3N2O3
Molecular Weight430.85 g/mol
Exact Mass430.13
IUPAC Name2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
SMILESCl.NC(C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CCOCC1
InChIInChI=1S/C20H21F3N2O3.ClH/c21-20(22,23)16-3-1-2-4-17(16)28-15-7-5-14(6-8-15)25-19(26)18(24)13-9-11-27-12-10-13;/h1-8,13,18H,9-12,24H2,(H,25,26);1H
InChIKeyNTJSCWBMPKKBBL-UHFFFAOYSA-N
XLogP4.61
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.85
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(oxan-4-yl)-N-[4-[3-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride
CID 120794131
2-amino-N-[4-(4-ethoxyphenoxy)phenyl]-2-(oxan-4-yl)acetamide
CID 120783556
2-amino-2-(oxan-4-yl)-N-[4-(oxan-4-ylmethoxy)phenyl]acetamide;hydrochloride
CID 120794059
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide;hydrochloride
CID 120790435
4-[[2-amino-2-(oxan-4-yl)acetyl]amino]-N-(4-methoxyphenyl)benzamide;hydrochloride
CID 120782841
2-amino-N-[2-methyl-3-(trifluoromethyl)phenyl]-2-(oxan-4-yl)acetamide
CID 120786132
2-amino-N-[6-(4-methoxyphenoxy)-3-pyridinyl]-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120801081
2-amino-2-(oxan-4-yl)-N-[(2-phenoxyphenyl)methyl]acetamide
CID 120790436
2-amino-N-[4-[(2-chlorophenyl)methoxy]phenyl]-2-(oxan-4-yl)acetamide
CID 120788842
2-amino-2-(oxan-4-yl)-N-[1-(2-phenoxyphenyl)ethyl]acetamide;hydrochloride
CID 120791363
(2S,5R)-5-(aminomethyl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]oxolane-2-carboxamide
CID 120790256
N-[4-(4-fluorophenoxy)-3-(trifluoromethyl)phenyl]-2,2-diphenylacetamide
CID 3963385

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride (CID 120790257) is 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride is Cl.NC(C(=O)Nc1ccc(Oc2ccccc2C(F)(F)F)cc1)C1CCOCC1.
What is the InChIKey of 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride?
The InChIKey is NTJSCWBMPKKBBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N2O3.ClH/c21-20(22,23)16-3-1-2-4-17(16)28-15-7-5-14(6-8-15)25-19(26)18(24)13-9-11-27-12-10-13;/h1-8,13,18H,9-12,24H2,(H,25,26);1H.
What are the key properties of 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride?
2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride has a molecular weight of 430.85 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(oxan-4-yl)-N-[4-[2-(trifluoromethyl)phenoxy]phenyl]acetamide;hydrochloride is sourced from PubChem (CID 120790257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).