N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

C14H20ClF3N2O — CID 119794790

IUPACN-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCCN(C(=O)CNC)C(C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-4-19(13(20)9-18-3)10(2)11-6-5-7-12(8-11)14(15,16)17;/h5-8,10,18H,4,9H2,1-3H3;1H
InChIKeyLVYJJXRORKEMRD-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.26
Rot. Bonds5

About N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride

N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (PubChem CID 119794790) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.

Molecular Properties

Compound NameN-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
PubChem CID119794790
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC NameN-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride
SMILESCCN(C(=O)CNC)C(C)c1cccc(C(F)(F)F)c1.Cl
InChIInChI=1S/C14H19F3N2O.ClH/c1-4-19(13(20)9-18-3)10(2)11-6-5-7-12(8-11)14(15,16)17;/h5-8,10,18H,4,9H2,1-3H3;1H
InChIKeyLVYJJXRORKEMRD-UHFFFAOYSA-N
XLogP3.26
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-methoxy-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 95571773
4-amino-N-ethyl-3-methoxy-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 120592804
3-(2-aminophenyl)-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 120611042
2-(methylamino)-N-[3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide;hydrochloride
CID 119769325
N-ethyl-2-(2-phenyl-1,3-oxazol-4-yl)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide
CID 78853702
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxamide
CID 119329896
3-amino-N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]cyclohexane-1-carboxamide
CID 119794789
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
1-ethyl-1-[1-(3-methoxyphenyl)ethyl]-3-[[4-(trifluoromethyl)phenyl]methyl]urea
CID 78886119
N-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]azetidin-3-amine
CID 66183131
2-amino-2-ethyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79813973
3-amino-N-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]propanamide
CID 99849482

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The IUPAC name of N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride (CID 119794790) is N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride.
What is the SMILES notation for N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The canonical SMILES for N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is CCN(C(=O)CNC)C(C)c1cccc(C(F)(F)F)c1.Cl.
What is the InChIKey of N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
The InChIKey is LVYJJXRORKEMRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O.ClH/c1-4-19(13(20)9-18-3)10(2)11-6-5-7-12(8-11)14(15,16)17;/h5-8,10,18H,4,9H2,1-3H3;1H.
What are the key properties of N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride?
N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride has a molecular weight of 324.77 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(methylamino)-N-[1-[3-(trifluoromethyl)phenyl]ethyl]acetamide;hydrochloride is sourced from PubChem (CID 119794790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).