N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

C19H20F4N2O — CID 34964617

IUPACN-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C19H20F4N2O/c1-25(2)17(14-6-4-8-16(20)11-14)12-24-18(26)10-13-5-3-7-15(9-13)19(21,22)23/h3-9,11,17H,10,12H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyKMARFWVFCBSPCP-QGZVFWFLSA-N
MW368.37 g/mol
LogP3.81
Rot. Bonds6

About N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide

N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 34964617) has the molecular formula C19H20F4N2O and a molecular weight of 368.37 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID34964617
Molecular FormulaC19H20F4N2O
Molecular Weight368.37 g/mol
Exact Mass368.15
IUPAC NameN-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
SMILESCN(C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1
InChIInChI=1S/C19H20F4N2O/c1-25(2)17(14-6-4-8-16(20)11-14)12-24-18(26)10-13-5-3-7-15(9-13)19(21,22)23/h3-9,11,17H,10,12H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyKMARFWVFCBSPCP-QGZVFWFLSA-N
XLogP3.81
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(2S)-2-(diethylamino)-2-phenylethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 8798590
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)acetamide
CID 46419114
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-hydroxy-3-phenylbutanamide
CID 110024409
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 51251239
2-(2-chloro-6-fluorophenyl)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]acetamide
CID 51179425
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3,5-difluorobenzamide
CID 51179438
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-3-(2-hydroxyphenyl)propanamide
CID 134057323
3-(benzylcarbamoylamino)-N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 24640092
3-(benzylcarbamoylamino)-N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]propanamide
CID 30526143
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-(2-fluorophenyl)sulfanylacetamide
CID 55370053
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 46522445
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzamide
CID 51186638

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide (CID 34964617) is N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is CN(C)[C@H](CNC(=O)Cc1cccc(C(F)(F)F)c1)c1cccc(F)c1.
What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is KMARFWVFCBSPCP-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H20F4N2O/c1-25(2)17(14-6-4-8-16(20)11-14)12-24-18(26)10-13-5-3-7-15(9-13)19(21,22)23/h3-9,11,17H,10,12H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide?
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 368.37 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 34964617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).