2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide

C10H10F3NO2 — CID 175049799

IUPAC2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide
SMILES[2H]C([2H])([2H])Oc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-8-5-3-2-4-7(8)9(15)14-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)/i1D3
InChIKeyOPXCXJAHYZXBMT-FIBGUPNXSA-N
MW236.21 g/mol
LogP1.99
Rot. Bonds4

About 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide

2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 175049799) has the molecular formula C10H10F3NO2 and a molecular weight of 236.21 g/mol. Its IUPAC name is 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID175049799
Molecular FormulaC10H10F3NO2
Molecular Weight236.21 g/mol
Exact Mass236.09
IUPAC Name2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide
SMILES[2H]C([2H])([2H])Oc1ccccc1C(=O)NCC(F)(F)F
InChIInChI=1S/C10H10F3NO2/c1-16-8-5-3-2-4-7(8)9(15)14-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)/i1D3
InChIKeyOPXCXJAHYZXBMT-FIBGUPNXSA-N
XLogP1.99
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.21
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,2-difluoro-3-hydroxypropyl)-2-methoxybenzamide
CID 104857085
2-fluoro-N-(2,2,2-trifluoroethyl)benzamide
CID 51072699
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 51075427
N-(2-amino-2-methylpropyl)-2-(difluoromethoxy)benzamide
CID 81482649
2-methoxy-N-(3,3,3-trifluoro-2-hydroxypropyl)benzamide
CID 103723044
N-(2-cyano-2-methylpropyl)-2-methoxybenzamide
CID 113372695
2-methoxy-N-[3-[(2,2,2-trifluoroacetyl)amino]propyl]benzamide
CID 108934760
N-(2,2-difluoro-3-hydroxypropyl)-2-ethoxybenzamide
CID 113462770
[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl] (2S)-2-[(2-methoxybenzoyl)amino]-3-methylbutanoate
CID 8847899
2-[2-(4-bromoanilino)-2-oxoethoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 52897026
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-2-methoxybenzamide
CID 95983592
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205

Frequently Asked Questions

What is the IUPAC name of 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide (CID 175049799) is 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide is [2H]C([2H])([2H])Oc1ccccc1C(=O)NCC(F)(F)F.
What is the InChIKey of 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is OPXCXJAHYZXBMT-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H10F3NO2/c1-16-8-5-3-2-4-7(8)9(15)14-6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)/i1D3.
What are the key properties of 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide?
2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 236.21 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trideuteriomethoxy)-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 175049799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).