3,5-dimethoxy-4-(trideuteriomethyl)benzamide

C10H13NO3 — CID 175729268

IUPAC3,5-dimethoxy-4-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])c1c(OC)cc(C(N)=O)cc1OC
InChIInChI=1S/C10H13NO3/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H2,11,12)/i1D3
InChIKeySUFQQNKRZVOZDM-FIBGUPNXSA-N
MW198.24 g/mol
LogP1.11
Rot. Bonds4

About 3,5-dimethoxy-4-(trideuteriomethyl)benzamide

3,5-dimethoxy-4-(trideuteriomethyl)benzamide (PubChem CID 175729268) has the molecular formula C10H13NO3 and a molecular weight of 198.24 g/mol. Its IUPAC name is 3,5-dimethoxy-4-(trideuteriomethyl)benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-4-(trideuteriomethyl)benzamide
PubChem CID175729268
Molecular FormulaC10H13NO3
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Name3,5-dimethoxy-4-(trideuteriomethyl)benzamide
SMILES[2H]C([2H])([2H])c1c(OC)cc(C(N)=O)cc1OC
InChIInChI=1S/C10H13NO3/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H2,11,12)/i1D3
InChIKeySUFQQNKRZVOZDM-FIBGUPNXSA-N
XLogP1.11
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,5-tris(trideuteriomethoxy)benzamide
CID 175729183
3-bromo-4,5-dimethoxybenzamide
CID 900808
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
1-(3,5-dimethoxy-4-methylphenyl)ethanone
CID 20697318
6-bromo-5-methoxypyridine-3-carboxamide
CID 122362558
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
3-iodo-5-methoxy-4-nitrobenzamide
CID 171011941
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
3-(difluoromethoxy)-4-methoxybenzamide
CID 47245743
N,3,5-trimethoxy-N,4-dimethylbenzamide
CID 23137896
4-(3,4-dimethoxyphenyl)benzamide
CID 152593806
3-methoxy-4-(2-oxopropoxy)benzamide
CID 62030666

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-4-(trideuteriomethyl)benzamide?
The IUPAC name of 3,5-dimethoxy-4-(trideuteriomethyl)benzamide (CID 175729268) is 3,5-dimethoxy-4-(trideuteriomethyl)benzamide.
What is the SMILES notation for 3,5-dimethoxy-4-(trideuteriomethyl)benzamide?
The canonical SMILES for 3,5-dimethoxy-4-(trideuteriomethyl)benzamide is [2H]C([2H])([2H])c1c(OC)cc(C(N)=O)cc1OC.
What is the InChIKey of 3,5-dimethoxy-4-(trideuteriomethyl)benzamide?
The InChIKey is SUFQQNKRZVOZDM-FIBGUPNXSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-8(13-2)4-7(10(11)12)5-9(6)14-3/h4-5H,1-3H3,(H2,11,12)/i1D3.
What are the key properties of 3,5-dimethoxy-4-(trideuteriomethyl)benzamide?
3,5-dimethoxy-4-(trideuteriomethyl)benzamide has a molecular weight of 198.24 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-4-(trideuteriomethyl)benzamide is sourced from PubChem (CID 175729268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).