N-(trideuteriomethoxy)benzamide

C8H9NO2 — CID 156666829

IUPACN-(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])ONC(=O)c1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)/i1D3
InChIKeyPBQZQTQFQFYBNJ-FIBGUPNXSA-N
MW154.18 g/mol
LogP0.98
Rot. Bonds3

About N-(trideuteriomethoxy)benzamide

N-(trideuteriomethoxy)benzamide (PubChem CID 156666829) has the molecular formula C8H9NO2 and a molecular weight of 154.18 g/mol. Its IUPAC name is N-(trideuteriomethoxy)benzamide.

Molecular Properties

Compound NameN-(trideuteriomethoxy)benzamide
PubChem CID156666829
Molecular FormulaC8H9NO2
Molecular Weight154.18 g/mol
Exact Mass154.08
IUPAC NameN-(trideuteriomethoxy)benzamide
SMILES[2H]C([2H])([2H])ONC(=O)c1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)/i1D3
InChIKeyPBQZQTQFQFYBNJ-FIBGUPNXSA-N
XLogP0.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.18
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

benzamido acetate;ethane
CID 91379738
benzamido 2-methylbenzoate
CID 5260358
N-methoxy-4-(phenylcarbamoylamino)benzamide
CID 33101054
N-methylbenzamide
CID 11954
benzamido thiophene-2-carboxylate
CID 2804175
benzohydrazide;propane
CID 90709051
benzamido ethanesulfonate
CID 134265286
benzohydrazide;molybdenum
CID 162076561
N-[(Z)-2-benzamido-1,2-diphenylethenyl]benzamide
CID 2749417
N-(2-hydroxy-2-methylpropoxy)benzamide
CID 87971931
N-[(2S)-2-amino-1-oxopropan-2-yl]benzamide
CID 174758628
benzamido sulfite
CID 57230748

Frequently Asked Questions

What is the IUPAC name of N-(trideuteriomethoxy)benzamide?
The IUPAC name of N-(trideuteriomethoxy)benzamide (CID 156666829) is N-(trideuteriomethoxy)benzamide.
What is the SMILES notation for N-(trideuteriomethoxy)benzamide?
The canonical SMILES for N-(trideuteriomethoxy)benzamide is [2H]C([2H])([2H])ONC(=O)c1ccccc1.
What is the InChIKey of N-(trideuteriomethoxy)benzamide?
The InChIKey is PBQZQTQFQFYBNJ-FIBGUPNXSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-9-8(10)7-5-3-2-4-6-7/h2-6H,1H3,(H,9,10)/i1D3.
What are the key properties of N-(trideuteriomethoxy)benzamide?
N-(trideuteriomethoxy)benzamide has a molecular weight of 154.18 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(trideuteriomethoxy)benzamide is sourced from PubChem (CID 156666829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).