3,4,5-tris(trideuteriomethoxy)benzamide

C10H13NO4 — CID 175729183

IUPAC3,4,5-tris(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])Oc1cc(C(N)=O)cc(OC([2H])([2H])[2H])c1OC([2H])([2H])[2H]
InChIInChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)/i1D3,2D3,3D3
InChIKeyGGNMTJKRHHLJHH-GQALSZNTSA-N
MW220.27 g/mol
LogP0.81
Rot. Bonds7

About 3,4,5-tris(trideuteriomethoxy)benzamide

3,4,5-tris(trideuteriomethoxy)benzamide (PubChem CID 175729183) has the molecular formula C10H13NO4 and a molecular weight of 220.27 g/mol. Its IUPAC name is 3,4,5-tris(trideuteriomethoxy)benzamide.

Molecular Properties

Compound Name3,4,5-tris(trideuteriomethoxy)benzamide
PubChem CID175729183
Molecular FormulaC10H13NO4
Molecular Weight220.27 g/mol
Exact Mass220.14
IUPAC Name3,4,5-tris(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])Oc1cc(C(N)=O)cc(OC([2H])([2H])[2H])c1OC([2H])([2H])[2H]
InChIInChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)/i1D3,2D3,3D3
InChIKeyGGNMTJKRHHLJHH-GQALSZNTSA-N
XLogP0.81
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-(trideuteriomethyl)benzamide
CID 175729268
3-bromo-4,5-dimethoxybenzamide
CID 900808
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
4-(3,4,5-trimethoxyphenyl)benzamide
CID 39746262
2-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 68886270
3-iodo-5-methoxy-4-prop-2-enoxybenzamide
CID 27186888
3-[[(3,4,5-trimethoxybenzoyl)amino]carbamoyl]benzamide
CID 43056910
2-amino-4,5-bis(trideuteriomethoxy)benzoic acid
CID 59662843
N-(5-carbamoyl-2-methoxyphenyl)-3,4,5-trimethoxybenzamide
CID 55783058
3-chloro-4-methoxy-5-propan-2-yloxybenzamide
CID 152687907
5-sulfamoyl-2-(trideuteriomethoxy)benzamide
CID 162641561
6-(3,4,5-trimethoxyphenoxy)pyridine-3-carboxamide
CID 69475423

Frequently Asked Questions

What is the IUPAC name of 3,4,5-tris(trideuteriomethoxy)benzamide?
The IUPAC name of 3,4,5-tris(trideuteriomethoxy)benzamide (CID 175729183) is 3,4,5-tris(trideuteriomethoxy)benzamide.
What is the SMILES notation for 3,4,5-tris(trideuteriomethoxy)benzamide?
The canonical SMILES for 3,4,5-tris(trideuteriomethoxy)benzamide is [2H]C([2H])([2H])Oc1cc(C(N)=O)cc(OC([2H])([2H])[2H])c1OC([2H])([2H])[2H].
What is the InChIKey of 3,4,5-tris(trideuteriomethoxy)benzamide?
The InChIKey is GGNMTJKRHHLJHH-GQALSZNTSA-N. The full InChI is InChI=1S/C10H13NO4/c1-13-7-4-6(10(11)12)5-8(14-2)9(7)15-3/h4-5H,1-3H3,(H2,11,12)/i1D3,2D3,3D3.
What are the key properties of 3,4,5-tris(trideuteriomethoxy)benzamide?
3,4,5-tris(trideuteriomethoxy)benzamide has a molecular weight of 220.27 g/mol, XLogP of 0.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-tris(trideuteriomethoxy)benzamide is sourced from PubChem (CID 175729183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).