2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide

C12H15F3N2O — CID 43711973

IUPAC2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCNCC(=O)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(17-11(18)7-16-2)9-3-5-10(6-4-9)12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyLVBGECDKTRTMPX-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.10
Rot. Bonds4

About 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide

2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide (PubChem CID 43711973) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
PubChem CID43711973
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide
SMILESCNCC(=O)NC(C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O/c1-8(17-11(18)7-16-2)9-3-5-10(6-4-9)12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18)
InChIKeyLVBGECDKTRTMPX-UHFFFAOYSA-N
XLogP2.10
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(methylamino)-N-[2-methyl-1-[4-(trifluoromethyl)phenyl]propyl]acetamide
CID 120705289
3-bromo-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 113385199
2-(methylamino)-N-[(1S)-1-pyridin-4-ylethyl]acetamide
CID 81409723
5-amino-4-methyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]pentanamide
CID 82013742
2-(methylamino)-N-[1-(4-pyridin-4-ylphenyl)ethyl]acetamide
CID 120704833
methyl 3-[[2-(methylamino)acetyl]amino]-3-[4-(trifluoromethyl)phenyl]propanoate
CID 120705825
N-(1-pyridin-4-ylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 51272046
3-amino-3-phenyl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 119949428
2,2,3,3-tetrafluoro-N-[1-[4-(trifluoromethyl)phenyl]ethyl]propanamide
CID 103732673
2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 43711976
N-ethyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetamide
CID 43566828
(2S)-2-amino-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 79024381

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide (CID 43711973) is 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide is CNCC(=O)NC(C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
The InChIKey is LVBGECDKTRTMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c1-8(17-11(18)7-16-2)9-3-5-10(6-4-9)12(13,14)15/h3-6,8,16H,7H2,1-2H3,(H,17,18).
What are the key properties of 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide?
2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide has a molecular weight of 260.26 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[1-[4-(trifluoromethyl)phenyl]ethyl]acetamide is sourced from PubChem (CID 43711973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).