2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

C13H17F3N2O2 — CID 60703769

IUPAC2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCC(C)NCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9(2)17-8-12(19)18-7-10-5-3-4-6-11(10)20-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyLQMJWIMPVAXDCD-UHFFFAOYSA-N
MW290.28 g/mol
LogP2.20
Rot. Bonds6

About 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide

2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (PubChem CID 60703769) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
PubChem CID60703769
Molecular FormulaC13H17F3N2O2
Molecular Weight290.28 g/mol
Exact Mass290.12
IUPAC Name2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
SMILESCC(C)NCC(=O)NCc1ccccc1OC(F)(F)F
InChIInChI=1S/C13H17F3N2O2/c1-9(2)17-8-12(19)18-7-10-5-3-4-6-11(10)20-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19)
InChIKeyLQMJWIMPVAXDCD-UHFFFAOYSA-N
XLogP2.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide
CID 60703728
3-acetamido-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 9451822
N-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]propanamide
CID 60702927
2-bromo-2-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 114327416
2-iodo-N-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]benzamide
CID 34321952
4-chloro-N-[[2-(trifluoromethoxy)phenyl]methyl]butanamide
CID 63309225
tert-butyl N-[3-oxo-3-[[2-(trifluoromethoxy)phenyl]methylamino]propyl]carbamate
CID 34555299
N-[2-oxo-2-[[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]ethyl]furan-2-carboxamide
CID 24586582
(3R)-3-acetamido-3-phenyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 41188300
2-[methyl-[2-oxo-2-[[2-(trifluoromethoxy)phenyl]methylamino]ethyl]amino]-N-propylacetamide
CID 24566510
3-methyl-2-[[2-(trifluoromethoxy)phenyl]methylamino]butan-1-ol
CID 79254130
1-[2-(trifluoromethoxy)phenyl]-3-[[2-(trifluoromethoxy)phenyl]methyl]urea
CID 3817679

Frequently Asked Questions

What is the IUPAC name of 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The IUPAC name of 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide (CID 60703769) is 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The canonical SMILES for 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is CC(C)NCC(=O)NCc1ccccc1OC(F)(F)F.
What is the InChIKey of 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
The InChIKey is LQMJWIMPVAXDCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-9(2)17-8-12(19)18-7-10-5-3-4-6-11(10)20-13(14,15)16/h3-6,9,17H,7-8H2,1-2H3,(H,18,19).
What are the key properties of 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide?
2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide has a molecular weight of 290.28 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propan-2-ylamino)-N-[[2-(trifluoromethoxy)phenyl]methyl]acetamide is sourced from PubChem (CID 60703769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).